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/8t5o-5c8a7763/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8t5o-5c8a7763/inputs/seq.fa: 1
curr_seq: _GGUGCAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCUUUCCUGGAUUCCUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGCAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCUUUCCUGGAUUCCUGC
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 111 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: 560
n_atoms_counter: 560
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....(.((...(((((((....).((((......))))...(((((...((((...........))))(((((((....))))))).......))))).)))))).)).)._
nucl1: 17, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 27, chain1: 0, <---> nucl2: 34, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 34
nucl1: 26, chain1: 0, <---> nucl2: 35, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 35
nucl1: 25, chain1: 0, <---> nucl2: 36, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 36
nucl1: 24, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 52, chain1: 0, <---> nucl2: 64, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 64
nucl1: 51, chain1: 0, <---> nucl2: 65, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 65
nucl1: 50, chain1: 0, <---> nucl2: 66, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 66
nucl1: 49, chain1: 0, <---> nucl2: 67, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 49, chainIndex_2: 0, nuclIndex_2: 67
nucl1: 74, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 74, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 73, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 72, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 71, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 70, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 45, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 44, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 43, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 42, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 41, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 16, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 15, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 14, chain1: 0, <---> nucl2: 101, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 101
nucl1: 13, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 12, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 11, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 7, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 6, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 4, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 109
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 111.000000 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/8t5o-5c8a7763/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8t5o-5c8a7763/inputs/seq.fa: 1
curr_seq: _GGUGCAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCUUUCCUGGAUUCCUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGCAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCUUUCCUGGAUUCCUGC
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 111 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: 560
n_atoms_counter: 560
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....(.((...(((((((....).((((......))))...(((((...((((...........))))(((((((....))))))).......))))).)))))).)).)._
nucl1: 17, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 27, chain1: 0, <---> nucl2: 34, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 34
nucl1: 26, chain1: 0, <---> nucl2: 35, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 35
nucl1: 25, chain1: 0, <---> nucl2: 36, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 36
nucl1: 24, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 52, chain1: 0, <---> nucl2: 64, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 64
nucl1: 51, chain1: 0, <---> nucl2: 65, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 65
nucl1: 50, chain1: 0, <---> nucl2: 66, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 66
nucl1: 49, chain1: 0, <---> nucl2: 67, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 49, chainIndex_2: 0, nuclIndex_2: 67
nucl1: 74, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 74, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 73, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 72, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 71, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 70, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 45, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 44, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 43, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 42, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 41, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 16, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 15, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 14, chain1: 0, <---> nucl2: 101, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 101
nucl1: 13, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 12, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 11, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 7, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 6, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 4, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 109
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 111.000000 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/8t5o-5c8a7763/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8t5o-5c8a7763/inputs/seq.fa: 1
curr_seq: _GGUGCAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCUUUCCUGGAUUCCUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGCAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCUUUCCUGGAUUCCUGC
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 111 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: 560
n_atoms_counter: 560
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....(.((...(((((((....).((((......))))...(((((...((((...........))))(((((((....))))))).......))))).)))))).)).)._
nucl1: 17, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 27, chain1: 0, <---> nucl2: 34, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 34
nucl1: 26, chain1: 0, <---> nucl2: 35, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 35
nucl1: 25, chain1: 0, <---> nucl2: 36, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 36
nucl1: 24, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 52, chain1: 0, <---> nucl2: 64, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 64
nucl1: 51, chain1: 0, <---> nucl2: 65, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 65
nucl1: 50, chain1: 0, <---> nucl2: 66, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 66
nucl1: 49, chain1: 0, <---> nucl2: 67, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 49, chainIndex_2: 0, nuclIndex_2: 67
nucl1: 74, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 74, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 73, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 72, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 71, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 70, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 45, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 44, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 43, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 42, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 41, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 16, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 15, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 14, chain1: 0, <---> nucl2: 101, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 101
nucl1: 13, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 12, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 11, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 7, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 6, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 4, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 109
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 111.000000 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/8t5o-5c8a7763/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8t5o-5c8a7763/inputs/seq.fa: 1
curr_seq: _GGUGCAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCUUUCCUGGAUUCCUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGCAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCUUUCCUGGAUUCCUGC
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 111 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: 560
n_atoms_counter: 560
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....(.((...(((((((....).((((......))))...(((((...((((...........))))(((((((....))))))).......))))).)))))).)).)._
nucl1: 17, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 27, chain1: 0, <---> nucl2: 34, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 34
nucl1: 26, chain1: 0, <---> nucl2: 35, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 35
nucl1: 25, chain1: 0, <---> nucl2: 36, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 36
nucl1: 24, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 52, chain1: 0, <---> nucl2: 64, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 64
nucl1: 51, chain1: 0, <---> nucl2: 65, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 65
nucl1: 50, chain1: 0, <---> nucl2: 66, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 66
nucl1: 49, chain1: 0, <---> nucl2: 67, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 49, chainIndex_2: 0, nuclIndex_2: 67
nucl1: 74, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 74, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 73, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 72, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 71, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 70, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 45, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 44, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 43, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 42, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 41, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 16, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 15, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 14, chain1: 0, <---> nucl2: 101, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 101
nucl1: 13, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 12, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 11, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 7, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 6, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 4, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 109
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 111.000000 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/8t5o-5c8a7763/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8t5o-5c8a7763/inputs/seq.fa: 1
curr_seq: _GGUGCAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCUUUCCUGGAUUCCUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGCAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCUUUCCUGGAUUCCUGC
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 111 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: 560
n_atoms_counter: 560
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....(.((...(((((((....).((((......))))...(((((...((((...........))))(((((((....))))))).......))))).)))))).)).)._
nucl1: 17, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 27, chain1: 0, <---> nucl2: 34, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 34
nucl1: 26, chain1: 0, <---> nucl2: 35, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 35
nucl1: 25, chain1: 0, <---> nucl2: 36, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 36
nucl1: 24, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 52, chain1: 0, <---> nucl2: 64, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 64
nucl1: 51, chain1: 0, <---> nucl2: 65, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 65
nucl1: 50, chain1: 0, <---> nucl2: 66, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 66
nucl1: 49, chain1: 0, <---> nucl2: 67, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 49, chainIndex_2: 0, nuclIndex_2: 67
nucl1: 74, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 74, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 73, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 72, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 71, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 70, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 45, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 44, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 43, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 42, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 41, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 16, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 15, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 14, chain1: 0, <---> nucl2: 101, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 101
nucl1: 13, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 12, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 11, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 7, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 6, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 4, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 109
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 111.000000 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/8t5o-5c8a7763/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8t5o-5c8a7763/inputs/seq.fa: 1
curr_seq: _GGUGCAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCUUUCCUGGAUUCCUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGCAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCUUUCCUGGAUUCCUGC
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 111 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: 560
n_atoms_counter: 560
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....(.((...(((((((....).((((......))))...(((((...((((...........))))(((((((....))))))).......))))).)))))).)).)._
nucl1: 17, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 27, chain1: 0, <---> nucl2: 34, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 34
nucl1: 26, chain1: 0, <---> nucl2: 35, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 35
nucl1: 25, chain1: 0, <---> nucl2: 36, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 36
nucl1: 24, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 52, chain1: 0, <---> nucl2: 64, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 64
nucl1: 51, chain1: 0, <---> nucl2: 65, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 65
nucl1: 50, chain1: 0, <---> nucl2: 66, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 66
nucl1: 49, chain1: 0, <---> nucl2: 67, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 49, chainIndex_2: 0, nuclIndex_2: 67
nucl1: 74, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 74, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 73, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 72, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 71, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 70, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 45, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 44, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 43, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 42, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 41, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 16, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 15, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 14, chain1: 0, <---> nucl2: 101, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 101
nucl1: 13, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 12, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 11, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 7, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 6, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 4, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 109
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 111.000000 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/8t5o-5c8a7763/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8t5o-5c8a7763/inputs/seq.fa: 1
curr_seq: _GGUGCAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCUUUCCUGGAUUCCUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGCAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCUUUCCUGGAUUCCUGC
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 111 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: 560
n_atoms_counter: 560
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....(.((...(((((((....).((((......))))...(((((...((((...........))))(((((((....))))))).......))))).)))))).)).)._
nucl1: 17, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 27, chain1: 0, <---> nucl2: 34, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 34
nucl1: 26, chain1: 0, <---> nucl2: 35, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 35
nucl1: 25, chain1: 0, <---> nucl2: 36, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 36
nucl1: 24, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 52, chain1: 0, <---> nucl2: 64, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 64
nucl1: 51, chain1: 0, <---> nucl2: 65, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 65
nucl1: 50, chain1: 0, <---> nucl2: 66, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 66
nucl1: 49, chain1: 0, <---> nucl2: 67, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 49, chainIndex_2: 0, nuclIndex_2: 67
nucl1: 74, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 74, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 73, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 72, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 71, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 70, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 45, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 44, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 43, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 42, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 41, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 16, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 15, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 14, chain1: 0, <---> nucl2: 101, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 101
nucl1: 13, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 12, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 11, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 7, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 6, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 4, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 109
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 111.000000 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/8t5o-5c8a7763/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8t5o-5c8a7763/inputs/seq.fa: 1
curr_seq: _GGUGCAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCUUUCCUGGAUUCCUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGCAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCUUUCCUGGAUUCCUGC
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 111 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: 560
n_atoms_counter: 560
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....(.((...(((((((....).((((......))))...(((((...((((...........))))(((((((....))))))).......))))).)))))).)).)._
nucl1: 17, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 27, chain1: 0, <---> nucl2: 34, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 34
nucl1: 26, chain1: 0, <---> nucl2: 35, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 35
nucl1: 25, chain1: 0, <---> nucl2: 36, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 36
nucl1: 24, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 52, chain1: 0, <---> nucl2: 64, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 64
nucl1: 51, chain1: 0, <---> nucl2: 65, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 65
nucl1: 50, chain1: 0, <---> nucl2: 66, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 66
nucl1: 49, chain1: 0, <---> nucl2: 67, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 49, chainIndex_2: 0, nuclIndex_2: 67
nucl1: 74, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 74, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 73, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 72, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 71, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 70, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 45, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 44, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 43, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 42, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 41, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 16, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 15, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 14, chain1: 0, <---> nucl2: 101, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 101
nucl1: 13, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 12, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 11, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 7, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 6, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 4, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 109
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 111.000000 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/8t5o-5c8a7763/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8t5o-5c8a7763/inputs/seq.fa: 1
curr_seq: _GGUGCAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCUUUCCUGGAUUCCUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGCAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCUUUCCUGGAUUCCUGC
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 111 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: 560
n_atoms_counter: 560
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....(.((...(((((((....).((((......))))...(((((...((((...........))))(((((((....))))))).......))))).)))))).)).)._
nucl1: 17, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 27, chain1: 0, <---> nucl2: 34, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 34
nucl1: 26, chain1: 0, <---> nucl2: 35, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 35
nucl1: 25, chain1: 0, <---> nucl2: 36, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 36
nucl1: 24, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 52, chain1: 0, <---> nucl2: 64, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 64
nucl1: 51, chain1: 0, <---> nucl2: 65, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 65
nucl1: 50, chain1: 0, <---> nucl2: 66, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 66
nucl1: 49, chain1: 0, <---> nucl2: 67, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 49, chainIndex_2: 0, nuclIndex_2: 67
nucl1: 74, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 74, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 73, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 72, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 71, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 70, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 45, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 44, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 43, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 42, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 41, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 16, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 15, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 14, chain1: 0, <---> nucl2: 101, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 101
nucl1: 13, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 12, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 11, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 7, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 6, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 4, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 109
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 111.000000 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/8t5o-5c8a7763/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8t5o-5c8a7763/inputs/seq.fa: 1
curr_seq: _GGUGCAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCUUUCCUGGAUUCCUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGCAGGUACAUCCAGCUGAUGAGUCCCAAAUAGGACAAAAAGGGAGAGGUGAAGAAUACGACCACCUAGGCUCGAAAGAGCCUAAAACAUACCUUUCCUGGAUUCCUGC
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 111 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: 560
n_atoms_counter: 560
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....(.((...(((((((....).((((......))))...(((((...((((...........))))(((((((....))))))).......))))).)))))).)).)._
nucl1: 17, chain1: 0, <---> nucl2: 22, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 17, chainIndex_2: 0, nuclIndex_2: 22
nucl1: 27, chain1: 0, <---> nucl2: 34, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 27, chainIndex_2: 0, nuclIndex_2: 34
nucl1: 26, chain1: 0, <---> nucl2: 35, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 26, chainIndex_2: 0, nuclIndex_2: 35
nucl1: 25, chain1: 0, <---> nucl2: 36, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 25, chainIndex_2: 0, nuclIndex_2: 36
nucl1: 24, chain1: 0, <---> nucl2: 37, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 24, chainIndex_2: 0, nuclIndex_2: 37
nucl1: 52, chain1: 0, <---> nucl2: 64, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 52, chainIndex_2: 0, nuclIndex_2: 64
nucl1: 51, chain1: 0, <---> nucl2: 65, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 51, chainIndex_2: 0, nuclIndex_2: 65
nucl1: 50, chain1: 0, <---> nucl2: 66, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 50, chainIndex_2: 0, nuclIndex_2: 66
nucl1: 49, chain1: 0, <---> nucl2: 67, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 49, chainIndex_2: 0, nuclIndex_2: 67
nucl1: 74, chain1: 0, <---> nucl2: 79, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 74, chainIndex_2: 0, nuclIndex_2: 79
nucl1: 73, chain1: 0, <---> nucl2: 80, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 73, chainIndex_2: 0, nuclIndex_2: 80
nucl1: 72, chain1: 0, <---> nucl2: 81, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 72, chainIndex_2: 0, nuclIndex_2: 81
nucl1: 71, chain1: 0, <---> nucl2: 82, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 71, chainIndex_2: 0, nuclIndex_2: 82
nucl1: 70, chain1: 0, <---> nucl2: 83, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 70, chainIndex_2: 0, nuclIndex_2: 83
nucl1: 69, chain1: 0, <---> nucl2: 84, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 69, chainIndex_2: 0, nuclIndex_2: 84
nucl1: 68, chain1: 0, <---> nucl2: 85, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 68, chainIndex_2: 0, nuclIndex_2: 85
nucl1: 45, chain1: 0, <---> nucl2: 93, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 45, chainIndex_2: 0, nuclIndex_2: 93
nucl1: 44, chain1: 0, <---> nucl2: 94, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 44, chainIndex_2: 0, nuclIndex_2: 94
nucl1: 43, chain1: 0, <---> nucl2: 95, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 43, chainIndex_2: 0, nuclIndex_2: 95
nucl1: 42, chain1: 0, <---> nucl2: 96, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 42, chainIndex_2: 0, nuclIndex_2: 96
nucl1: 41, chain1: 0, <---> nucl2: 97, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 41, chainIndex_2: 0, nuclIndex_2: 97
nucl1: 16, chain1: 0, <---> nucl2: 99, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 16, chainIndex_2: 0, nuclIndex_2: 99
nucl1: 15, chain1: 0, <---> nucl2: 100, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 15, chainIndex_2: 0, nuclIndex_2: 100
nucl1: 14, chain1: 0, <---> nucl2: 101, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 14, chainIndex_2: 0, nuclIndex_2: 101
nucl1: 13, chain1: 0, <---> nucl2: 102, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 13, chainIndex_2: 0, nuclIndex_2: 102
nucl1: 12, chain1: 0, <---> nucl2: 103, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 12, chainIndex_2: 0, nuclIndex_2: 103
nucl1: 11, chain1: 0, <---> nucl2: 104, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2: 104
nucl1: 7, chain1: 0, <---> nucl2: 106, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 106
nucl1: 6, chain1: 0, <---> nucl2: 107, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 107
nucl1: 4, chain1: 0, <---> nucl2: 109, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 109
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 111.000000 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: 1590.170264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1590.170264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.070320 (E_RNA)
where:
Base-Base interactions energy: -15.834
where: short stacking energy: -15.834
Base-Backbone interact. energy: -0.000
local terms energy: -432.236561
where:
bonds (distance) C4'-P energy: -107.845
bonds (distance) P-C4' energy: -100.201
flat angles C4'-P-C4' energy: -81.499
flat angles P-C4'-P energy: -93.226
tors. eta vs tors. theta energy: -49.465
Dist. restrs. and SS energy: 2038.241 (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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: 1590.170264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1590.170264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.070320 (E_RNA)
where:
Base-Base interactions energy: -15.834
where: short stacking energy: -15.834
Base-Backbone interact. energy: -0.000
local terms energy: -432.236561
where:
bonds (distance) C4'-P energy: -107.845
bonds (distance) P-C4' energy: -100.201
flat angles C4'-P-C4' energy: -81.499
flat angles P-C4'-P energy: -93.226
tors. eta vs tors. theta energy: -49.465
Dist. restrs. and SS energy: 2038.241 (S_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: 1590.170264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1590.170264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.070320 (E_RNA)
where:
Base-Base interactions energy: -15.834
where: short stacking energy: -15.834
Base-Backbone interact. energy: -0.000
local terms energy: -432.236561
where:
bonds (distance) C4'-P energy: -107.845
bonds (distance) P-C4' energy: -100.201
flat angles C4'-P-C4' energy: -81.499
flat angles P-C4'-P energy: -93.226
tors. eta vs tors. theta energy: -49.465
Dist. restrs. and SS energy: 2038.241 (S_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: 1590.170264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1590.170264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.070320 (E_RNA)
where:
Base-Base interactions energy: -15.834
where: short stacking energy: -15.834
Base-Backbone interact. energy: -0.000
local terms energy: -432.236561
where:
bonds (distance) C4'-P energy: -107.845
bonds (distance) P-C4' energy: -100.201
flat angles C4'-P-C4' energy: -81.499
flat angles P-C4'-P energy: -93.226
tors. eta vs tors. theta energy: -49.465
Dist. restrs. and SS energy: 2038.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: 1590.170264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1590.170264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.070320 (E_RNA)
where:
Base-Base interactions energy: -15.834
where: short stacking energy: -15.834
Base-Backbone interact. energy: -0.000
local terms energy: -432.236561
where:
bonds (distance) C4'-P energy: -107.845
bonds (distance) P-C4' energy: -100.201
flat angles C4'-P-C4' energy: -81.499
flat angles P-C4'-P energy: -93.226
tors. eta vs tors. theta energy: -49.465
Dist. restrs. and SS energy: 2038.241 (S_DIST_RNA)
chem. 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: 1590.170264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1590.170264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.070320 (E_RNA)
where:
Base-Base interactions energy: -15.834
where: short stacking energy: -15.834
Base-Backbone interact. energy: -0.000
local terms energy: -432.236561
where:
bonds (distance) C4'-P energy: -107.845
bonds (distance) P-C4' energy: -100.201
flat angles C4'-P-C4' energy: -81.499
flat angles P-C4'-P energy: -93.226
tors. eta vs tors. theta energy: -49.465
Dist. restrs. and SS energy: 2038.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: 1590.170264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1590.170264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.070320 (E_RNA)
where:
Base-Base interactions energy: -15.834
where: short stacking energy: -15.834
Base-Backbone interact. energy: -0.000
local terms energy: -432.236561
where:
bonds (distance) C4'-P energy: -107.845
bonds (distance) P-C4' energy: -100.201
flat angles C4'-P-C4' energy: -81.499
flat angles P-C4'-P energy: -93.226
tors. eta vs tors. theta energy: -49.465
Dist. restrs. and SS energy: 2038.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: 1590.170264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1590.170264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.070320 (E_RNA)
where:
Base-Base interactions energy: -15.834
where: short stacking energy: -15.834
Base-Backbone interact. energy: -0.000
local terms energy: -432.236561
where:
bonds (distance) C4'-P energy: -107.845
bonds (distance) P-C4' energy: -100.201
flat angles C4'-P-C4' energy: -81.499
flat angles P-C4'-P energy: -93.226
tors. eta vs tors. theta energy: -49.465
Dist. restrs. and SS energy: 2038.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: 1590.170264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1590.170264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.070320 (E_RNA)
where:
Base-Base interactions energy: -15.834
where: short stacking energy: -15.834
Base-Backbone interact. energy: -0.000
local terms energy: -432.236561
where:
bonds (distance) C4'-P energy: -107.845
bonds (distance) P-C4' energy: -100.201
flat angles C4'-P-C4' energy: -81.499
flat angles P-C4'-P energy: -93.226
tors. eta vs tors. theta energy: -49.465
Dist. restrs. and SS energy: 2038.241 (S_DIST_RNA)
chem. 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: 1590.170264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 1590.170264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.070320 (E_RNA)
where:
Base-Base interactions energy: -15.834
where: short stacking energy: -15.834
Base-Backbone interact. energy: -0.000
local terms energy: -432.236561
where:
bonds (distance) C4'-P energy: -107.845
bonds (distance) P-C4' energy: -100.201
flat angles C4'-P-C4' energy: -81.499
flat angles P-C4'-P energy: -93.226
tors. eta vs tors. theta energy: -49.465
Dist. restrs. and SS energy: 2038.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -884.478426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.478426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.934942 (E_RNA)
where:
Base-Base interactions energy: -580.889
where: short stacking energy: -246.975
Base-Backbone interact. energy: -1.519
local terms energy: -319.527004
where:
bonds (distance) C4'-P energy: -69.246
bonds (distance) P-C4' energy: -74.592
flat angles C4'-P-C4' energy: -71.492
flat angles P-C4'-P energy: -41.956
tors. eta vs tors. theta energy: -62.242
Dist. restrs. and SS energy: 17.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -884.610981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.610981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.152221 (E_RNA)
where:
Base-Base interactions energy: -596.636
where: short stacking energy: -241.036
Base-Backbone interact. energy: -3.281
local terms energy: -295.234637
where:
bonds (distance) C4'-P energy: -70.717
bonds (distance) P-C4' energy: -65.548
flat angles C4'-P-C4' energy: -66.254
flat angles P-C4'-P energy: -42.925
tors. eta vs tors. theta energy: -49.790
Dist. restrs. and SS energy: 10.541 (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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -794.085021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.085021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.475383 (E_RNA)
where:
Base-Base interactions energy: -509.765
where: short stacking energy: -201.385
Base-Backbone interact. energy: -0.130
local terms energy: -301.580376
where:
bonds (distance) C4'-P energy: -74.213
bonds (distance) P-C4' energy: -73.786
flat angles C4'-P-C4' energy: -65.136
flat angles P-C4'-P energy: -41.228
tors. eta vs tors. theta energy: -47.217
Dist. restrs. and SS energy: 17.390 (S_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: -844.984313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.984313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.453623 (E_RNA)
where:
Base-Base interactions energy: -566.990
where: short stacking energy: -257.239
Base-Backbone interact. energy: -0.253
local terms energy: -293.210469
where:
bonds (distance) C4'-P energy: -65.602
bonds (distance) P-C4' energy: -61.627
flat angles C4'-P-C4' energy: -59.186
flat angles P-C4'-P energy: -46.232
tors. eta vs tors. theta energy: -60.563
Dist. restrs. and SS energy: 15.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -806.981140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.981140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.864809 (E_RNA)
where:
Base-Base interactions energy: -546.808
where: short stacking energy: -237.612
Base-Backbone interact. energy: -0.905
local terms energy: -282.152427
where:
bonds (distance) C4'-P energy: -67.578
bonds (distance) P-C4' energy: -66.558
flat angles C4'-P-C4' energy: -57.071
flat angles P-C4'-P energy: -35.326
tors. eta vs tors. theta energy: -55.619
Dist. restrs. and SS energy: 22.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -726.262507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.262507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.775348 (E_RNA)
where:
Base-Base interactions energy: -502.229
where: short stacking energy: -197.566
Base-Backbone interact. energy: -0.899
local terms energy: -238.647684
where:
bonds (distance) C4'-P energy: -53.280
bonds (distance) P-C4' energy: -63.193
flat angles C4'-P-C4' energy: -54.084
flat angles P-C4'-P energy: -32.853
tors. eta vs tors. theta energy: -35.238
Dist. restrs. and SS energy: 15.513 (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: 2
Temperature: 1.200000
Total energy: -676.237759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.237759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.339921 (E_RNA)
where:
Base-Base interactions energy: -449.436
where: short stacking energy: -196.710
Base-Backbone interact. energy: 0.701
local terms energy: -248.605341
where:
bonds (distance) C4'-P energy: -66.135
bonds (distance) P-C4' energy: -52.476
flat angles C4'-P-C4' energy: -49.025
flat angles P-C4'-P energy: -33.639
tors. eta vs tors. theta energy: -47.331
Dist. restrs. and SS energy: 21.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -780.570335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.570335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.000183 (E_RNA)
where:
Base-Base interactions energy: -538.221
where: short stacking energy: -217.894
Base-Backbone interact. energy: -2.145
local terms energy: -251.633530
where:
bonds (distance) C4'-P energy: -60.286
bonds (distance) P-C4' energy: -54.542
flat angles C4'-P-C4' energy: -48.880
flat angles P-C4'-P energy: -44.737
tors. eta vs tors. theta energy: -43.189
Dist. restrs. and SS energy: 11.430 (S_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: -556.916754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.916754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.704589 (E_RNA)
where:
Base-Base interactions energy: -355.699
where: short stacking energy: -159.705
Base-Backbone interact. energy: 0.621
local terms energy: -232.626411
where:
bonds (distance) C4'-P energy: -56.211
bonds (distance) P-C4' energy: -73.291
flat angles C4'-P-C4' energy: -56.023
flat angles P-C4'-P energy: -25.539
tors. eta vs tors. theta energy: -21.564
Dist. restrs. and SS energy: 30.788 (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: 2
Temperature: 1.350000
Total energy: -447.546784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.546784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.455764 (E_RNA)
where:
Base-Base interactions energy: -282.546
where: short stacking energy: -115.219
Base-Backbone interact. energy: -2.076
local terms energy: -196.833677
where:
bonds (distance) C4'-P energy: -67.801
bonds (distance) P-C4' energy: -50.493
flat angles C4'-P-C4' energy: -49.925
flat angles P-C4'-P energy: -24.856
tors. eta vs tors. theta energy: -3.759
Dist. restrs. and SS energy: 33.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -915.672176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.672176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.139185 (E_RNA)
where:
Base-Base interactions energy: -614.274
where: short stacking energy: -248.039
Base-Backbone interact. energy: -1.383
local terms energy: -306.481703
where:
bonds (distance) C4'-P energy: -72.315
bonds (distance) P-C4' energy: -76.510
flat angles C4'-P-C4' energy: -64.289
flat angles P-C4'-P energy: -36.415
tors. eta vs tors. theta energy: -56.953
Dist. restrs. and SS energy: 6.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -956.794666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.794666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.416513 (E_RNA)
where:
Base-Base interactions energy: -650.165
where: short stacking energy: -262.425
Base-Backbone interact. energy: -0.898
local terms energy: -319.353779
where:
bonds (distance) C4'-P energy: -66.951
bonds (distance) P-C4' energy: -63.340
flat angles C4'-P-C4' energy: -60.905
flat angles P-C4'-P energy: -52.180
tors. eta vs tors. theta energy: -75.977
Dist. restrs. and SS energy: 13.622 (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: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -862.023183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.023183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.153521 (E_RNA)
where:
Base-Base interactions energy: -593.372
where: short stacking energy: -247.097
Base-Backbone interact. energy: 1.888
local terms energy: -286.669839
where:
bonds (distance) C4'-P energy: -55.107
bonds (distance) P-C4' energy: -61.976
flat angles C4'-P-C4' energy: -69.991
flat angles P-C4'-P energy: -40.102
tors. eta vs tors. theta energy: -59.494
Dist. restrs. and SS energy: 16.130 (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: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -879.625399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.625399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.469938 (E_RNA)
where:
Base-Base interactions energy: -594.548
where: short stacking energy: -251.867
Base-Backbone interact. energy: -2.538
local terms energy: -297.383628
where:
bonds (distance) C4'-P energy: -53.138
bonds (distance) P-C4' energy: -67.084
flat angles C4'-P-C4' energy: -75.071
flat angles P-C4'-P energy: -36.119
tors. eta vs tors. theta energy: -65.972
Dist. restrs. and SS energy: 14.845 (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: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -835.144804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.144804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.841727 (E_RNA)
where:
Base-Base interactions energy: -554.872
where: short stacking energy: -215.736
Base-Backbone interact. energy: -2.194
local terms energy: -292.775891
where:
bonds (distance) C4'-P energy: -72.732
bonds (distance) P-C4' energy: -64.801
flat angles C4'-P-C4' energy: -65.716
flat angles P-C4'-P energy: -36.231
tors. eta vs tors. theta energy: -53.296
Dist. restrs. and SS energy: 14.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -760.242247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.242247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.084600 (E_RNA)
where:
Base-Base interactions energy: -504.011
where: short stacking energy: -215.491
Base-Backbone interact. energy: 2.398
local terms energy: -277.470890
where:
bonds (distance) C4'-P energy: -70.071
bonds (distance) P-C4' energy: -60.132
flat angles C4'-P-C4' energy: -48.566
flat angles P-C4'-P energy: -53.576
tors. eta vs tors. theta energy: -45.125
Dist. restrs. and SS energy: 18.842 (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: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -758.599340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.599340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.082100 (E_RNA)
where:
Base-Base interactions energy: -514.078
where: short stacking energy: -199.692
Base-Backbone interact. energy: 6.267
local terms energy: -261.271712
where:
bonds (distance) C4'-P energy: -65.453
bonds (distance) P-C4' energy: -68.519
flat angles C4'-P-C4' energy: -53.110
flat angles P-C4'-P energy: -43.482
tors. eta vs tors. theta energy: -30.708
Dist. restrs. and SS energy: 10.483 (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: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -833.788221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.788221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.006208 (E_RNA)
where:
Base-Base interactions energy: -586.521
where: short stacking energy: -245.825
Base-Backbone interact. energy: -1.268
local terms energy: -261.217798
where:
bonds (distance) C4'-P energy: -57.036
bonds (distance) P-C4' energy: -50.345
flat angles C4'-P-C4' energy: -67.787
flat angles P-C4'-P energy: -29.022
tors. eta vs tors. theta energy: -57.028
Dist. restrs. and SS energy: 15.218 (S_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: -624.531828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.531828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.988260 (E_RNA)
where:
Base-Base interactions energy: -436.364
where: short stacking energy: -170.045
Base-Backbone interact. energy: -1.806
local terms energy: -211.817638
where:
bonds (distance) C4'-P energy: -65.132
bonds (distance) P-C4' energy: -53.861
flat angles C4'-P-C4' energy: -55.003
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -21.835
Dist. restrs. and SS energy: 25.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -590.023595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.023595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.975442 (E_RNA)
where:
Base-Base interactions energy: -397.575
where: short stacking energy: -148.909
Base-Backbone interact. energy: 0.973
local terms energy: -219.374037
where:
bonds (distance) C4'-P energy: -56.698
bonds (distance) P-C4' energy: -69.792
flat angles C4'-P-C4' energy: -27.814
flat angles P-C4'-P energy: -35.902
tors. eta vs tors. theta energy: -29.168
Dist. restrs. and SS energy: 25.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -993.825352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.825352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.377363 (E_RNA)
where:
Base-Base interactions energy: -663.446
where: short stacking energy: -270.542
Base-Backbone interact. energy: -0.832
local terms energy: -336.099491
where:
bonds (distance) C4'-P energy: -67.238
bonds (distance) P-C4' energy: -83.033
flat angles C4'-P-C4' energy: -70.050
flat angles P-C4'-P energy: -48.644
tors. eta vs tors. theta energy: -67.135
Dist. restrs. and SS energy: 6.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -1040.999569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.999569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.700647 (E_RNA)
where:
Base-Base interactions energy: -706.591
where: short stacking energy: -305.186
Base-Backbone interact. energy: -1.501
local terms energy: -341.608607
where:
bonds (distance) C4'-P energy: -66.919
bonds (distance) P-C4' energy: -78.073
flat angles C4'-P-C4' energy: -70.346
flat angles P-C4'-P energy: -40.264
tors. eta vs tors. theta energy: -86.007
Dist. restrs. and SS energy: 8.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -971.230785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.230785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.325097 (E_RNA)
where:
Base-Base interactions energy: -666.138
where: short stacking energy: -286.854
Base-Backbone interact. energy: -0.177
local terms energy: -317.009957
where:
bonds (distance) C4'-P energy: -59.988
bonds (distance) P-C4' energy: -66.992
flat angles C4'-P-C4' energy: -66.903
flat angles P-C4'-P energy: -48.827
tors. eta vs tors. theta energy: -74.300
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: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -866.718863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.718863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.696619 (E_RNA)
where:
Base-Base interactions energy: -601.307
where: short stacking energy: -261.219
Base-Backbone interact. energy: -0.977
local terms energy: -283.412844
where:
bonds (distance) C4'-P energy: -63.278
bonds (distance) P-C4' energy: -59.408
flat angles C4'-P-C4' energy: -61.293
flat angles P-C4'-P energy: -39.641
tors. eta vs tors. theta energy: -59.793
Dist. restrs. and SS energy: 18.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -859.452639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.452639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.981245 (E_RNA)
where:
Base-Base interactions energy: -594.552
where: short stacking energy: -232.640
Base-Backbone interact. energy: 0.269
local terms energy: -273.698896
where:
bonds (distance) C4'-P energy: -55.435
bonds (distance) P-C4' energy: -62.690
flat angles C4'-P-C4' energy: -62.920
flat angles P-C4'-P energy: -34.969
tors. eta vs tors. theta energy: -57.685
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: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -874.572478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.572478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.474548 (E_RNA)
where:
Base-Base interactions energy: -576.924
where: short stacking energy: -218.446
Base-Backbone interact. energy: -1.857
local terms energy: -304.693575
where:
bonds (distance) C4'-P energy: -70.096
bonds (distance) P-C4' energy: -64.004
flat angles C4'-P-C4' energy: -57.913
flat angles P-C4'-P energy: -47.309
tors. eta vs tors. theta energy: -65.372
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: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -928.121660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.121660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.265521 (E_RNA)
where:
Base-Base interactions energy: -634.195
where: short stacking energy: -258.540
Base-Backbone interact. energy: -0.663
local terms energy: -296.408380
where:
bonds (distance) C4'-P energy: -58.365
bonds (distance) P-C4' energy: -58.123
flat angles C4'-P-C4' energy: -60.955
flat angles P-C4'-P energy: -45.539
tors. eta vs tors. theta energy: -73.426
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: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -773.511117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.511117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.767666 (E_RNA)
where:
Base-Base interactions energy: -555.389
where: short stacking energy: -215.337
Base-Backbone interact. energy: 6.485
local terms energy: -241.863875
where:
bonds (distance) C4'-P energy: -62.360
bonds (distance) P-C4' energy: -46.007
flat angles C4'-P-C4' energy: -62.524
flat angles P-C4'-P energy: -40.259
tors. eta vs tors. theta energy: -30.715
Dist. restrs. and SS energy: 17.257 (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: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -784.537960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.537960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.717346 (E_RNA)
where:
Base-Base interactions energy: -548.539
where: short stacking energy: -219.255
Base-Backbone interact. energy: -2.309
local terms energy: -241.869223
where:
bonds (distance) C4'-P energy: -55.032
bonds (distance) P-C4' energy: -70.049
flat angles C4'-P-C4' energy: -45.451
flat angles P-C4'-P energy: -29.073
tors. eta vs tors. theta energy: -42.264
Dist. restrs. and SS energy: 8.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -715.959068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.959068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.790904 (E_RNA)
where:
Base-Base interactions energy: -501.938
where: short stacking energy: -195.451
Base-Backbone interact. energy: -1.026
local terms energy: -223.826311
where:
bonds (distance) C4'-P energy: -56.144
bonds (distance) P-C4' energy: -49.553
flat angles C4'-P-C4' energy: -52.434
flat angles P-C4'-P energy: -28.142
tors. eta vs tors. theta energy: -37.553
Dist. restrs. and SS energy: 10.832 (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: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1053.747290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.747290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.202285 (E_RNA)
where:
Base-Base interactions energy: -745.409
where: short stacking energy: -301.948
Base-Backbone interact. energy: -2.184
local terms energy: -309.608848
where:
bonds (distance) C4'-P energy: -59.387
bonds (distance) P-C4' energy: -68.569
flat angles C4'-P-C4' energy: -68.991
flat angles P-C4'-P energy: -40.676
tors. eta vs tors. theta energy: -71.986
Dist. restrs. and SS energy: 3.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1038.271472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.271472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.901641 (E_RNA)
where:
Base-Base interactions energy: -717.905
where: short stacking energy: -299.326
Base-Backbone interact. energy: -2.607
local terms energy: -323.389754
where:
bonds (distance) C4'-P energy: -68.399
bonds (distance) P-C4' energy: -63.302
flat angles C4'-P-C4' energy: -71.571
flat angles P-C4'-P energy: -46.120
tors. eta vs tors. theta energy: -73.998
Dist. restrs. and SS energy: 5.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -992.595907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.595907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.636252 (E_RNA)
where:
Base-Base interactions energy: -678.937
where: short stacking energy: -288.165
Base-Backbone interact. energy: -1.845
local terms energy: -320.854482
where:
bonds (distance) C4'-P energy: -54.337
bonds (distance) P-C4' energy: -68.554
flat angles C4'-P-C4' energy: -78.113
flat angles P-C4'-P energy: -39.078
tors. eta vs tors. theta energy: -80.773
Dist. restrs. and SS energy: 9.040 (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: 3
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -886.126525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.126525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.970257 (E_RNA)
where:
Base-Base interactions energy: -623.414
where: short stacking energy: -235.732
Base-Backbone interact. energy: -0.967
local terms energy: -277.589342
where:
bonds (distance) C4'-P energy: -61.006
bonds (distance) P-C4' energy: -60.454
flat angles C4'-P-C4' energy: -61.074
flat angles P-C4'-P energy: -39.217
tors. eta vs tors. theta energy: -55.838
Dist. restrs. and SS energy: 15.844 (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: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -910.288483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.288483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.142437 (E_RNA)
where:
Base-Base interactions energy: -628.582
where: short stacking energy: -258.650
Base-Backbone interact. energy: 2.006
local terms energy: -290.566649
where:
bonds (distance) C4'-P energy: -56.972
bonds (distance) P-C4' energy: -62.565
flat angles C4'-P-C4' energy: -62.121
flat angles P-C4'-P energy: -47.446
tors. eta vs tors. theta energy: -61.463
Dist. restrs. and SS energy: 6.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -988.172872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.172872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.918541 (E_RNA)
where:
Base-Base interactions energy: -692.954
where: short stacking energy: -274.122
Base-Backbone interact. energy: -2.062
local terms energy: -298.902766
where:
bonds (distance) C4'-P energy: -48.728
bonds (distance) P-C4' energy: -52.060
flat angles C4'-P-C4' energy: -66.138
flat angles P-C4'-P energy: -53.735
tors. eta vs tors. theta energy: -78.241
Dist. restrs. and SS energy: 5.746 (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: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -806.525563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.525563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.524461 (E_RNA)
where:
Base-Base interactions energy: -547.467
where: short stacking energy: -221.389
Base-Backbone interact. energy: -1.717
local terms energy: -266.341004
where:
bonds (distance) C4'-P energy: -61.142
bonds (distance) P-C4' energy: -51.585
flat angles C4'-P-C4' energy: -70.662
flat angles P-C4'-P energy: -22.066
tors. eta vs tors. theta energy: -60.887
Dist. restrs. and SS energy: 8.999 (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: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -861.955108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.955108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.959188 (E_RNA)
where:
Base-Base interactions energy: -614.916
where: short stacking energy: -234.014
Base-Backbone interact. energy: -2.262
local terms energy: -256.780861
where:
bonds (distance) C4'-P energy: -66.102
bonds (distance) P-C4' energy: -46.299
flat angles C4'-P-C4' energy: -57.193
flat angles P-C4'-P energy: -38.668
tors. eta vs tors. theta energy: -48.519
Dist. restrs. and SS energy: 12.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -792.327690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.327690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.690690 (E_RNA)
where:
Base-Base interactions energy: -553.883
where: short stacking energy: -221.903
Base-Backbone interact. energy: 0.500
local terms energy: -245.307690
where:
bonds (distance) C4'-P energy: -52.764
bonds (distance) P-C4' energy: -47.702
flat angles C4'-P-C4' energy: -61.041
flat angles P-C4'-P energy: -34.345
tors. eta vs tors. theta energy: -49.456
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: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -750.351948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.351948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.633150 (E_RNA)
where:
Base-Base interactions energy: -518.511
where: short stacking energy: -206.519
Base-Backbone interact. energy: 1.864
local terms energy: -240.986523
where:
bonds (distance) C4'-P energy: -58.397
bonds (distance) P-C4' energy: -63.703
flat angles C4'-P-C4' energy: -50.186
flat angles P-C4'-P energy: -27.561
tors. eta vs tors. theta energy: -41.140
Dist. restrs. and SS energy: 7.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1061.240257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.240257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.455220 (E_RNA)
where:
Base-Base interactions energy: -732.622
where: short stacking energy: -311.002
Base-Backbone interact. energy: -1.167
local terms energy: -332.666024
where:
bonds (distance) C4'-P energy: -68.423
bonds (distance) P-C4' energy: -68.322
flat angles C4'-P-C4' energy: -68.827
flat angles P-C4'-P energy: -51.918
tors. eta vs tors. theta energy: -75.176
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: 2, replica: 4
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1052.261827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.261827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.785059 (E_RNA)
where:
Base-Base interactions energy: -721.634
where: short stacking energy: -295.544
Base-Backbone interact. energy: -2.271
local terms energy: -331.880629
where:
bonds (distance) C4'-P energy: -69.439
bonds (distance) P-C4' energy: -68.941
flat angles C4'-P-C4' energy: -76.639
flat angles P-C4'-P energy: -49.716
tors. eta vs tors. theta energy: -67.145
Dist. restrs. and SS energy: 3.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -999.095306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.095306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.274581 (E_RNA)
where:
Base-Base interactions energy: -675.613
where: short stacking energy: -289.359
Base-Backbone interact. energy: 1.235
local terms energy: -331.897231
where:
bonds (distance) C4'-P energy: -70.346
bonds (distance) P-C4' energy: -65.326
flat angles C4'-P-C4' energy: -67.777
flat angles P-C4'-P energy: -51.855
tors. eta vs tors. theta energy: -76.592
Dist. restrs. and SS energy: 7.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -913.990828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.990828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.118331 (E_RNA)
where:
Base-Base interactions energy: -638.000
where: short stacking energy: -250.044
Base-Backbone interact. energy: -0.942
local terms energy: -289.176578
where:
bonds (distance) C4'-P energy: -67.236
bonds (distance) P-C4' energy: -66.373
flat angles C4'-P-C4' energy: -61.907
flat angles P-C4'-P energy: -39.480
tors. eta vs tors. theta energy: -54.181
Dist. restrs. and SS energy: 14.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -1021.844918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.844918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.617559 (E_RNA)
where:
Base-Base interactions energy: -709.073
where: short stacking energy: -275.900
Base-Backbone interact. energy: -1.822
local terms energy: -318.722038
where:
bonds (distance) C4'-P energy: -68.564
bonds (distance) P-C4' energy: -54.365
flat angles C4'-P-C4' energy: -80.350
flat angles P-C4'-P energy: -46.443
tors. eta vs tors. theta energy: -69.001
Dist. restrs. and SS energy: 7.773 (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: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -900.003249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.003249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.360111 (E_RNA)
where:
Base-Base interactions energy: -611.343
where: short stacking energy: -260.603
Base-Backbone interact. energy: -1.559
local terms energy: -297.458115
where:
bonds (distance) C4'-P energy: -58.615
bonds (distance) P-C4' energy: -64.643
flat angles C4'-P-C4' energy: -67.794
flat angles P-C4'-P energy: -34.300
tors. eta vs tors. theta energy: -72.106
Dist. restrs. and SS energy: 10.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -917.870502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.870502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.169329 (E_RNA)
where:
Base-Base interactions energy: -644.941
where: short stacking energy: -256.056
Base-Backbone interact. energy: -3.445
local terms energy: -278.783259
where:
bonds (distance) C4'-P energy: -56.639
bonds (distance) P-C4' energy: -59.199
flat angles C4'-P-C4' energy: -56.941
flat angles P-C4'-P energy: -40.098
tors. eta vs tors. theta energy: -65.906
Dist. restrs. and SS energy: 9.299 (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: 6
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -802.491311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.491311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.445910 (E_RNA)
where:
Base-Base interactions energy: -530.309
where: short stacking energy: -220.229
Base-Backbone interact. energy: -1.909
local terms energy: -281.227370
where:
bonds (distance) C4'-P energy: -65.928
bonds (distance) P-C4' energy: -57.214
flat angles C4'-P-C4' energy: -63.367
flat angles P-C4'-P energy: -41.757
tors. eta vs tors. theta energy: -52.961
Dist. restrs. and SS energy: 10.955 (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: 7
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -777.249474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.249474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.591176 (E_RNA)
where:
Base-Base interactions energy: -557.973
where: short stacking energy: -223.075
Base-Backbone interact. energy: -0.153
local terms energy: -230.465297
where:
bonds (distance) C4'-P energy: -50.092
bonds (distance) P-C4' energy: -57.820
flat angles C4'-P-C4' energy: -49.144
flat angles P-C4'-P energy: -37.669
tors. eta vs tors. theta energy: -35.741
Dist. restrs. and SS energy: 11.342 (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: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -743.963191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.963191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.891031 (E_RNA)
where:
Base-Base interactions energy: -537.175
where: short stacking energy: -193.363
Base-Backbone interact. energy: -0.709
local terms energy: -210.006844
where:
bonds (distance) C4'-P energy: -56.906
bonds (distance) P-C4' energy: -46.665
flat angles C4'-P-C4' energy: -48.303
flat angles P-C4'-P energy: -23.778
tors. eta vs tors. theta energy: -34.354
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: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1088.585513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.585513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.952604 (E_RNA)
where:
Base-Base interactions energy: -732.323
where: short stacking energy: -306.787
Base-Backbone interact. energy: -3.132
local terms energy: -357.498259
where:
bonds (distance) C4'-P energy: -77.886
bonds (distance) P-C4' energy: -77.921
flat angles C4'-P-C4' energy: -68.189
flat angles P-C4'-P energy: -55.742
tors. eta vs tors. theta energy: -77.761
Dist. restrs. and SS energy: 4.367 (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: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1098.341776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.341776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.794134 (E_RNA)
where:
Base-Base interactions energy: -761.259
where: short stacking energy: -303.155
Base-Backbone interact. energy: 0.682
local terms energy: -341.216790
where:
bonds (distance) C4'-P energy: -74.052
bonds (distance) P-C4' energy: -67.151
flat angles C4'-P-C4' energy: -75.754
flat angles P-C4'-P energy: -43.478
tors. eta vs tors. theta energy: -80.782
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: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -992.562235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.562235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.944720 (E_RNA)
where:
Base-Base interactions energy: -685.268
where: short stacking energy: -305.709
Base-Backbone interact. energy: 8.353
local terms energy: -330.029563
where:
bonds (distance) C4'-P energy: -58.026
bonds (distance) P-C4' energy: -69.871
flat angles C4'-P-C4' energy: -79.990
flat angles P-C4'-P energy: -43.048
tors. eta vs tors. theta energy: -79.094
Dist. restrs. and SS energy: 14.382 (S_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: 7
Temperature: 1.050000
Total energy: -1073.976187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.976187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.084130 (E_RNA)
where:
Base-Base interactions energy: -735.263
where: short stacking energy: -293.930
Base-Backbone interact. energy: -4.004
local terms energy: -335.816676
where:
bonds (distance) C4'-P energy: -66.260
bonds (distance) P-C4' energy: -62.683
flat angles C4'-P-C4' energy: -72.436
flat angles P-C4'-P energy: -50.370
tors. eta vs tors. theta energy: -84.067
Dist. restrs. and SS energy: 1.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -888.494876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.494876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.720358 (E_RNA)
where:
Base-Base interactions energy: -612.474
where: short stacking energy: -254.829
Base-Backbone interact. energy: -1.507
local terms energy: -294.739274
where:
bonds (distance) C4'-P energy: -58.391
bonds (distance) P-C4' energy: -59.620
flat angles C4'-P-C4' energy: -71.582
flat angles P-C4'-P energy: -48.441
tors. eta vs tors. theta energy: -56.705
Dist. restrs. and SS energy: 20.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -984.390894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.390894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.691926 (E_RNA)
where:
Base-Base interactions energy: -688.013
where: short stacking energy: -291.132
Base-Backbone interact. energy: -1.570
local terms energy: -298.109506
where:
bonds (distance) C4'-P energy: -60.773
bonds (distance) P-C4' energy: -64.746
flat angles C4'-P-C4' energy: -63.800
flat angles P-C4'-P energy: -40.981
tors. eta vs tors. theta energy: -67.810
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: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -883.075195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.075195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.677185 (E_RNA)
where:
Base-Base interactions energy: -621.817
where: short stacking energy: -240.313
Base-Backbone interact. energy: -0.955
local terms energy: -274.904873
where:
bonds (distance) C4'-P energy: -64.184
bonds (distance) P-C4' energy: -55.786
flat angles C4'-P-C4' energy: -61.459
flat angles P-C4'-P energy: -43.210
tors. eta vs tors. theta energy: -50.265
Dist. restrs. and SS energy: 14.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -808.380058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.380058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.050840 (E_RNA)
where:
Base-Base interactions energy: -551.801
where: short stacking energy: -225.589
Base-Backbone interact. energy: -0.985
local terms energy: -264.264261
where:
bonds (distance) C4'-P energy: -53.675
bonds (distance) P-C4' energy: -56.412
flat angles C4'-P-C4' energy: -68.503
flat angles P-C4'-P energy: -43.509
tors. eta vs tors. theta energy: -42.166
Dist. restrs. and SS energy: 8.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -776.405080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.405080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.518819 (E_RNA)
where:
Base-Base interactions energy: -541.226
where: short stacking energy: -193.278
Base-Backbone interact. energy: -0.916
local terms energy: -240.376399
where:
bonds (distance) C4'-P energy: -55.287
bonds (distance) P-C4' energy: -65.137
flat angles C4'-P-C4' energy: -63.702
flat angles P-C4'-P energy: -19.245
tors. eta vs tors. theta energy: -37.005
Dist. restrs. and SS energy: 6.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -751.297386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.297386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.213549 (E_RNA)
where:
Base-Base interactions energy: -515.153
where: short stacking energy: -191.819
Base-Backbone interact. energy: -0.675
local terms energy: -244.385746
where:
bonds (distance) C4'-P energy: -59.650
bonds (distance) P-C4' energy: -64.209
flat angles C4'-P-C4' energy: -52.081
flat angles P-C4'-P energy: -30.243
tors. eta vs tors. theta energy: -38.203
Dist. restrs. and SS energy: 8.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1150.917375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.917375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.586095 (E_RNA)
where:
Base-Base interactions energy: -803.353
where: short stacking energy: -317.580
Base-Backbone interact. energy: 1.607
local terms energy: -352.840392
where:
bonds (distance) C4'-P energy: -66.397
bonds (distance) P-C4' energy: -74.191
flat angles C4'-P-C4' energy: -81.460
flat angles P-C4'-P energy: -54.877
tors. eta vs tors. theta energy: -75.916
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: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1051.082859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.082859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.271575 (E_RNA)
where:
Base-Base interactions energy: -739.199
where: short stacking energy: -298.183
Base-Backbone interact. energy: 2.889
local terms energy: -318.961518
where:
bonds (distance) C4'-P energy: -66.192
bonds (distance) P-C4' energy: -66.346
flat angles C4'-P-C4' energy: -76.693
flat angles P-C4'-P energy: -38.442
tors. eta vs tors. theta energy: -71.288
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: 3, replica: 8
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1093.273883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.273883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.221201 (E_RNA)
where:
Base-Base interactions energy: -748.475
where: short stacking energy: -310.387
Base-Backbone interact. energy: -5.002
local terms energy: -342.743518
where:
bonds (distance) C4'-P energy: -66.247
bonds (distance) P-C4' energy: -73.954
flat angles C4'-P-C4' energy: -69.018
flat angles P-C4'-P energy: -54.738
tors. eta vs tors. theta energy: -78.786
Dist. restrs. and SS energy: 2.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -974.059613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.059613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.027739 (E_RNA)
where:
Base-Base interactions energy: -669.089
where: short stacking energy: -273.659
Base-Backbone interact. energy: -1.598
local terms energy: -310.340693
where:
bonds (distance) C4'-P energy: -63.022
bonds (distance) P-C4' energy: -70.382
flat angles C4'-P-C4' energy: -64.074
flat angles P-C4'-P energy: -47.567
tors. eta vs tors. theta energy: -65.295
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: 5, replica: 9
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -990.762526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.762526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.735221 (E_RNA)
where:
Base-Base interactions energy: -717.187
where: short stacking energy: -287.507
Base-Backbone interact. energy: 0.079
local terms energy: -277.627421
where:
bonds (distance) C4'-P energy: -53.694
bonds (distance) P-C4' energy: -63.721
flat angles C4'-P-C4' energy: -57.174
flat angles P-C4'-P energy: -39.231
tors. eta vs tors. theta energy: -63.807
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: 6, replica: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -866.160841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.160841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.629093 (E_RNA)
where:
Base-Base interactions energy: -589.283
where: short stacking energy: -228.789
Base-Backbone interact. energy: -0.335
local terms energy: -286.010436
where:
bonds (distance) C4'-P energy: -68.180
bonds (distance) P-C4' energy: -51.588
flat angles C4'-P-C4' energy: -68.697
flat angles P-C4'-P energy: -39.968
tors. eta vs tors. theta energy: -57.579
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: 7, replica: 5
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -896.555895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.555895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.491088 (E_RNA)
where:
Base-Base interactions energy: -629.115
where: short stacking energy: -247.702
Base-Backbone interact. energy: 0.917
local terms energy: -272.293649
where:
bonds (distance) C4'-P energy: -56.312
bonds (distance) P-C4' energy: -50.828
flat angles C4'-P-C4' energy: -65.261
flat angles P-C4'-P energy: -42.332
tors. eta vs tors. theta energy: -57.561
Dist. restrs. and SS energy: 3.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -835.053921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.053921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.032298 (E_RNA)
where:
Base-Base interactions energy: -565.703
where: short stacking energy: -220.367
Base-Backbone interact. energy: 0.160
local terms energy: -282.488930
where:
bonds (distance) C4'-P energy: -63.158
bonds (distance) P-C4' energy: -59.376
flat angles C4'-P-C4' energy: -56.542
flat angles P-C4'-P energy: -49.172
tors. eta vs tors. theta energy: -54.241
Dist. restrs. and SS energy: 12.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -803.127181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.127181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.043347 (E_RNA)
where:
Base-Base interactions energy: -574.591
where: short stacking energy: -207.291
Base-Backbone interact. energy: 2.601
local terms energy: -237.053825
where:
bonds (distance) C4'-P energy: -45.781
bonds (distance) P-C4' energy: -66.600
flat angles C4'-P-C4' energy: -52.548
flat angles P-C4'-P energy: -38.934
tors. eta vs tors. theta energy: -33.191
Dist. restrs. and SS energy: 5.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -798.791149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.791149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.277174 (E_RNA)
where:
Base-Base interactions energy: -554.760
where: short stacking energy: -212.505
Base-Backbone interact. energy: 5.025
local terms energy: -259.541974
where:
bonds (distance) C4'-P energy: -64.359
bonds (distance) P-C4' energy: -53.401
flat angles C4'-P-C4' energy: -63.337
flat angles P-C4'-P energy: -30.301
tors. eta vs tors. theta energy: -48.143
Dist. restrs. and SS energy: 10.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1156.977729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.977729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.233140 (E_RNA)
where:
Base-Base interactions energy: -815.913
where: short stacking energy: -328.972
Base-Backbone interact. energy: -0.678
local terms energy: -343.641953
where:
bonds (distance) C4'-P energy: -72.655
bonds (distance) P-C4' energy: -63.744
flat angles C4'-P-C4' energy: -79.777
flat angles P-C4'-P energy: -48.834
tors. eta vs tors. theta energy: -78.632
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: 8
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1158.965697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.965697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.967989 (E_RNA)
where:
Base-Base interactions energy: -791.794
where: short stacking energy: -315.621
Base-Backbone interact. energy: -2.240
local terms energy: -365.934212
where:
bonds (distance) C4'-P energy: -69.842
bonds (distance) P-C4' energy: -76.586
flat angles C4'-P-C4' energy: -73.696
flat angles P-C4'-P energy: -59.288
tors. eta vs tors. theta energy: -86.522
Dist. restrs. and SS energy: 1.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1014.185666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.185666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.524026 (E_RNA)
where:
Base-Base interactions energy: -692.020
where: short stacking energy: -285.386
Base-Backbone interact. energy: -1.321
local terms energy: -328.182174
where:
bonds (distance) C4'-P energy: -69.638
bonds (distance) P-C4' energy: -73.250
flat angles C4'-P-C4' energy: -53.918
flat angles P-C4'-P energy: -55.422
tors. eta vs tors. theta energy: -75.954
Dist. restrs. and SS energy: 7.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1028.216173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.216173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.979761 (E_RNA)
where:
Base-Base interactions energy: -710.080
where: short stacking energy: -293.768
Base-Backbone interact. energy: -2.208
local terms energy: -321.691358
where:
bonds (distance) C4'-P energy: -65.285
bonds (distance) P-C4' energy: -57.088
flat angles C4'-P-C4' energy: -74.578
flat angles P-C4'-P energy: -47.831
tors. eta vs tors. theta energy: -76.910
Dist. restrs. and SS energy: 5.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -958.530188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.530188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.834266 (E_RNA)
where:
Base-Base interactions energy: -660.053
where: short stacking energy: -273.389
Base-Backbone interact. energy: -3.046
local terms energy: -302.735129
where:
bonds (distance) C4'-P energy: -62.142
bonds (distance) P-C4' energy: -67.193
flat angles C4'-P-C4' energy: -64.721
flat angles P-C4'-P energy: -38.061
tors. eta vs tors. theta energy: -70.618
Dist. restrs. and SS energy: 7.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -937.878355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.878355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.976351 (E_RNA)
where:
Base-Base interactions energy: -632.481
where: short stacking energy: -272.162
Base-Backbone interact. energy: -2.532
local terms energy: -313.963192
where:
bonds (distance) C4'-P energy: -62.615
bonds (distance) P-C4' energy: -58.505
flat angles C4'-P-C4' energy: -73.990
flat angles P-C4'-P energy: -46.309
tors. eta vs tors. theta energy: -72.544
Dist. restrs. and SS energy: 11.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -826.364643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.364643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.745717 (E_RNA)
where:
Base-Base interactions energy: -580.012
where: short stacking energy: -220.355
Base-Backbone interact. energy: 0.586
local terms energy: -256.320098
where:
bonds (distance) C4'-P energy: -66.752
bonds (distance) P-C4' energy: -62.922
flat angles C4'-P-C4' energy: -54.669
flat angles P-C4'-P energy: -24.092
tors. eta vs tors. theta energy: -47.886
Dist. restrs. and SS energy: 9.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -854.230941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.230941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.838778 (E_RNA)
where:
Base-Base interactions energy: -587.808
where: short stacking energy: -229.547
Base-Backbone interact. energy: -2.754
local terms energy: -274.276784
where:
bonds (distance) C4'-P energy: -53.338
bonds (distance) P-C4' energy: -61.763
flat angles C4'-P-C4' energy: -71.530
flat angles P-C4'-P energy: -34.207
tors. eta vs tors. theta energy: -53.438
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: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -788.700917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.700917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.887533 (E_RNA)
where:
Base-Base interactions energy: -535.911
where: short stacking energy: -214.065
Base-Backbone interact. energy: -0.743
local terms energy: -266.233674
where:
bonds (distance) C4'-P energy: -56.638
bonds (distance) P-C4' energy: -67.033
flat angles C4'-P-C4' energy: -63.888
flat angles P-C4'-P energy: -31.041
tors. eta vs tors. theta energy: -47.634
Dist. restrs. and SS energy: 14.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -764.639181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.639181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.461975 (E_RNA)
where:
Base-Base interactions energy: -529.555
where: short stacking energy: -195.074
Base-Backbone interact. energy: 5.157
local terms energy: -249.063656
where:
bonds (distance) C4'-P energy: -54.786
bonds (distance) P-C4' energy: -57.395
flat angles C4'-P-C4' energy: -56.876
flat angles P-C4'-P energy: -31.908
tors. eta vs tors. theta energy: -48.098
Dist. restrs. and SS energy: 8.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1189.898386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.898386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.140706 (E_RNA)
where:
Base-Base interactions energy: -818.658
where: short stacking energy: -329.606
Base-Backbone interact. energy: -0.973
local terms energy: -370.509854
where:
bonds (distance) C4'-P energy: -66.082
bonds (distance) P-C4' energy: -69.748
flat angles C4'-P-C4' energy: -81.567
flat angles P-C4'-P energy: -57.088
tors. eta vs tors. theta energy: -96.024
Dist. restrs. and SS energy: 0.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1129.667812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.667812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.251731 (E_RNA)
where:
Base-Base interactions energy: -804.089
where: short stacking energy: -334.484
Base-Backbone interact. energy: -2.557
local terms energy: -330.606477
where:
bonds (distance) C4'-P energy: -63.579
bonds (distance) P-C4' energy: -62.832
flat angles C4'-P-C4' energy: -73.808
flat angles P-C4'-P energy: -47.804
tors. eta vs tors. theta energy: -82.584
Dist. restrs. and SS energy: 7.584 (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: 10
Temperature: 1.000000
Total energy: -1064.603196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.603196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.247873 (E_RNA)
where:
Base-Base interactions energy: -730.797
where: short stacking energy: -293.572
Base-Backbone interact. energy: -1.630
local terms energy: -337.820077
where:
bonds (distance) C4'-P energy: -69.354
bonds (distance) P-C4' energy: -80.491
flat angles C4'-P-C4' energy: -61.550
flat angles P-C4'-P energy: -49.261
tors. eta vs tors. theta energy: -77.164
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: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -943.531410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.531410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.422368 (E_RNA)
where:
Base-Base interactions energy: -628.126
where: short stacking energy: -261.205
Base-Backbone interact. energy: 1.121
local terms energy: -323.417730
where:
bonds (distance) C4'-P energy: -67.198
bonds (distance) P-C4' energy: -69.436
flat angles C4'-P-C4' energy: -71.613
flat angles P-C4'-P energy: -46.538
tors. eta vs tors. theta energy: -68.632
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: 5, replica: 2
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -947.009045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.009045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.380447 (E_RNA)
where:
Base-Base interactions energy: -665.143
where: short stacking energy: -271.659
Base-Backbone interact. energy: 2.462
local terms energy: -292.698872
where:
bonds (distance) C4'-P energy: -57.628
bonds (distance) P-C4' energy: -59.695
flat angles C4'-P-C4' energy: -65.915
flat angles P-C4'-P energy: -42.947
tors. eta vs tors. theta energy: -66.513
Dist. restrs. and SS energy: 8.371 (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: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -956.822550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.822550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.569068 (E_RNA)
where:
Base-Base interactions energy: -664.633
where: short stacking energy: -253.213
Base-Backbone interact. energy: -0.593
local terms energy: -297.343873
where:
bonds (distance) C4'-P energy: -71.933
bonds (distance) P-C4' energy: -55.519
flat angles C4'-P-C4' energy: -69.366
flat angles P-C4'-P energy: -46.513
tors. eta vs tors. theta energy: -54.013
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: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -875.987405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.987405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.975419 (E_RNA)
where:
Base-Base interactions energy: -610.565
where: short stacking energy: -222.700
Base-Backbone interact. energy: 0.047
local terms energy: -272.457321
where:
bonds (distance) C4'-P energy: -58.175
bonds (distance) P-C4' energy: -67.086
flat angles C4'-P-C4' energy: -55.304
flat angles P-C4'-P energy: -43.167
tors. eta vs tors. theta energy: -48.726
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: 8, replica: 3
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -798.493686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.493686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.781471 (E_RNA)
where:
Base-Base interactions energy: -545.346
where: short stacking energy: -203.158
Base-Backbone interact. energy: 3.970
local terms energy: -282.405306
where:
bonds (distance) C4'-P energy: -72.873
bonds (distance) P-C4' energy: -67.186
flat angles C4'-P-C4' energy: -52.889
flat angles P-C4'-P energy: -42.104
tors. eta vs tors. theta energy: -47.353
Dist. restrs. and SS energy: 25.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -807.790615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.790615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.936938 (E_RNA)
where:
Base-Base interactions energy: -565.409
where: short stacking energy: -216.900
Base-Backbone interact. energy: -0.215
local terms energy: -251.312748
where:
bonds (distance) C4'-P energy: -51.256
bonds (distance) P-C4' energy: -56.115
flat angles C4'-P-C4' energy: -58.953
flat angles P-C4'-P energy: -39.471
tors. eta vs tors. theta energy: -45.518
Dist. restrs. and SS energy: 9.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -748.572540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.572540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.369434 (E_RNA)
where:
Base-Base interactions energy: -526.225
where: short stacking energy: -212.991
Base-Backbone interact. energy: 1.349
local terms energy: -244.492765
where:
bonds (distance) C4'-P energy: -37.301
bonds (distance) P-C4' energy: -57.888
flat angles C4'-P-C4' energy: -63.743
flat angles P-C4'-P energy: -35.298
tors. eta vs tors. theta energy: -50.263
Dist. restrs. and SS energy: 20.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1183.589902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.589902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.500520 (E_RNA)
where:
Base-Base interactions energy: -817.965
where: short stacking energy: -332.562
Base-Backbone interact. energy: -1.950
local terms energy: -366.585552
where:
bonds (distance) C4'-P energy: -64.961
bonds (distance) P-C4' energy: -68.803
flat angles C4'-P-C4' energy: -80.979
flat angles P-C4'-P energy: -53.425
tors. eta vs tors. theta energy: -98.418
Dist. restrs. and SS energy: 2.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1148.349638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.349638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.540623 (E_RNA)
where:
Base-Base interactions energy: -797.105
where: short stacking energy: -329.524
Base-Backbone interact. energy: -4.110
local terms energy: -351.325079
where:
bonds (distance) C4'-P energy: -67.106
bonds (distance) P-C4' energy: -69.872
flat angles C4'-P-C4' energy: -77.393
flat angles P-C4'-P energy: -48.754
tors. eta vs tors. theta energy: -88.201
Dist. restrs. and SS energy: 4.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1083.675685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.675685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.710124 (E_RNA)
where:
Base-Base interactions energy: -764.795
where: short stacking energy: -304.628
Base-Backbone interact. energy: -3.385
local terms energy: -323.530263
where:
bonds (distance) C4'-P energy: -60.547
bonds (distance) P-C4' energy: -76.293
flat angles C4'-P-C4' energy: -64.101
flat angles P-C4'-P energy: -48.841
tors. eta vs tors. theta energy: -73.749
Dist. restrs. and SS energy: 8.034 (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: 2
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -979.241831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.241831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.730767 (E_RNA)
where:
Base-Base interactions energy: -691.736
where: short stacking energy: -293.246
Base-Backbone interact. energy: -4.265
local terms energy: -291.730381
where:
bonds (distance) C4'-P energy: -47.812
bonds (distance) P-C4' energy: -74.743
flat angles C4'-P-C4' energy: -62.461
flat angles P-C4'-P energy: -40.494
tors. eta vs tors. theta energy: -66.220
Dist. restrs. and SS energy: 8.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -906.894123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.894123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.171257 (E_RNA)
where:
Base-Base interactions energy: -618.147
where: short stacking energy: -261.272
Base-Backbone interact. energy: -2.059
local terms energy: -296.965103
where:
bonds (distance) C4'-P energy: -57.506
bonds (distance) P-C4' energy: -64.599
flat angles C4'-P-C4' energy: -55.778
flat angles P-C4'-P energy: -47.663
tors. eta vs tors. theta energy: -71.419
Dist. restrs. and SS energy: 10.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -964.565586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.565586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.128752 (E_RNA)
where:
Base-Base interactions energy: -686.646
where: short stacking energy: -271.357
Base-Backbone interact. energy: -1.761
local terms energy: -283.721907
where:
bonds (distance) C4'-P energy: -51.947
bonds (distance) P-C4' energy: -60.236
flat angles C4'-P-C4' energy: -61.149
flat angles P-C4'-P energy: -44.365
tors. eta vs tors. theta energy: -66.025
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: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -918.073595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.073595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.800016 (E_RNA)
where:
Base-Base interactions energy: -604.281
where: short stacking energy: -238.296
Base-Backbone interact. energy: -1.002
local terms energy: -320.516539
where:
bonds (distance) C4'-P energy: -70.769
bonds (distance) P-C4' energy: -68.910
flat angles C4'-P-C4' energy: -75.560
flat angles P-C4'-P energy: -41.883
tors. eta vs tors. theta energy: -63.394
Dist. restrs. and SS energy: 7.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -842.069040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.069040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.283233 (E_RNA)
where:
Base-Base interactions energy: -566.982
where: short stacking energy: -213.296
Base-Backbone interact. energy: -1.170
local terms energy: -285.131950
where:
bonds (distance) C4'-P energy: -63.176
bonds (distance) P-C4' energy: -59.511
flat angles C4'-P-C4' energy: -64.916
flat angles P-C4'-P energy: -42.357
tors. eta vs tors. theta energy: -55.173
Dist. restrs. and SS energy: 11.214 (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: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -818.241258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.241258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.681090 (E_RNA)
where:
Base-Base interactions energy: -566.333
where: short stacking energy: -228.091
Base-Backbone interact. energy: -0.115
local terms energy: -263.233435
where:
bonds (distance) C4'-P energy: -58.347
bonds (distance) P-C4' energy: -59.325
flat angles C4'-P-C4' energy: -62.527
flat angles P-C4'-P energy: -29.784
tors. eta vs tors. theta energy: -53.251
Dist. restrs. and SS energy: 11.440 (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: 7
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -801.292853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.292853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.232381 (E_RNA)
where:
Base-Base interactions energy: -564.860
where: short stacking energy: -223.672
Base-Backbone interact. energy: -2.288
local terms energy: -256.084396
where:
bonds (distance) C4'-P energy: -55.597
bonds (distance) P-C4' energy: -56.887
flat angles C4'-P-C4' energy: -57.291
flat angles P-C4'-P energy: -35.131
tors. eta vs tors. theta energy: -51.179
Dist. restrs. and SS energy: 21.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1170.477238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.477238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.108787 (E_RNA)
where:
Base-Base interactions energy: -808.164
where: short stacking energy: -349.179
Base-Backbone interact. energy: -2.096
local terms energy: -365.848063
where:
bonds (distance) C4'-P energy: -64.359
bonds (distance) P-C4' energy: -76.716
flat angles C4'-P-C4' energy: -79.847
flat angles P-C4'-P energy: -45.661
tors. eta vs tors. theta energy: -99.266
Dist. restrs. and SS energy: 5.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1164.835092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.835092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.413416 (E_RNA)
where:
Base-Base interactions energy: -802.664
where: short stacking energy: -315.324
Base-Backbone interact. energy: -0.495
local terms energy: -364.253714
where:
bonds (distance) C4'-P energy: -71.384
bonds (distance) P-C4' energy: -81.252
flat angles C4'-P-C4' energy: -74.821
flat angles P-C4'-P energy: -51.510
tors. eta vs tors. theta energy: -85.287
Dist. restrs. and SS energy: 2.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1091.363531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.363531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.703120 (E_RNA)
where:
Base-Base interactions energy: -765.530
where: short stacking energy: -305.200
Base-Backbone interact. energy: 1.206
local terms energy: -331.379005
where:
bonds (distance) C4'-P energy: -72.230
bonds (distance) P-C4' energy: -55.160
flat angles C4'-P-C4' energy: -70.283
flat angles P-C4'-P energy: -54.394
tors. eta vs tors. theta energy: -79.312
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: 4, replica: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1020.068478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.068478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.613352 (E_RNA)
where:
Base-Base interactions energy: -710.937
where: short stacking energy: -284.075
Base-Backbone interact. energy: -3.147
local terms energy: -316.529076
where:
bonds (distance) C4'-P energy: -54.581
bonds (distance) P-C4' energy: -61.975
flat angles C4'-P-C4' energy: -75.238
flat angles P-C4'-P energy: -54.240
tors. eta vs tors. theta energy: -70.496
Dist. restrs. and SS energy: 10.545 (S_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: 12
Temperature: 1.100000
Total energy: -1025.708537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.708537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.076066 (E_RNA)
where:
Base-Base interactions energy: -722.708
where: short stacking energy: -308.884
Base-Backbone interact. energy: -1.642
local terms energy: -307.725566
where:
bonds (distance) C4'-P energy: -56.897
bonds (distance) P-C4' energy: -55.244
flat angles C4'-P-C4' energy: -67.168
flat angles P-C4'-P energy: -37.177
tors. eta vs tors. theta energy: -91.240
Dist. restrs. and SS energy: 6.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -926.392382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.392382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.235142 (E_RNA)
where:
Base-Base interactions energy: -632.764
where: short stacking energy: -281.312
Base-Backbone interact. energy: -1.538
local terms energy: -294.933327
where:
bonds (distance) C4'-P energy: -54.969
bonds (distance) P-C4' energy: -69.026
flat angles C4'-P-C4' energy: -65.074
flat angles P-C4'-P energy: -35.695
tors. eta vs tors. theta energy: -70.168
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: 3
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -895.247834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.247834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.178516 (E_RNA)
where:
Base-Base interactions energy: -639.611
where: short stacking energy: -249.521
Base-Backbone interact. energy: -1.834
local terms energy: -258.733722
where:
bonds (distance) C4'-P energy: -61.307
bonds (distance) P-C4' energy: -39.462
flat angles C4'-P-C4' energy: -58.711
flat angles P-C4'-P energy: -39.618
tors. eta vs tors. theta energy: -59.635
Dist. restrs. and SS energy: 4.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -861.350040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.350040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.319050 (E_RNA)
where:
Base-Base interactions energy: -594.084
where: short stacking energy: -242.060
Base-Backbone interact. energy: -1.354
local terms energy: -273.880950
where:
bonds (distance) C4'-P energy: -51.675
bonds (distance) P-C4' energy: -54.012
flat angles C4'-P-C4' energy: -73.825
flat angles P-C4'-P energy: -36.680
tors. eta vs tors. theta energy: -57.690
Dist. restrs. and SS energy: 7.969 (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: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -836.328846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.328846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.197439 (E_RNA)
where:
Base-Base interactions energy: -595.208
where: short stacking energy: -248.455
Base-Backbone interact. energy: -0.985
local terms energy: -255.004162
where:
bonds (distance) C4'-P energy: -61.568
bonds (distance) P-C4' energy: -49.191
flat angles C4'-P-C4' energy: -69.502
flat angles P-C4'-P energy: -26.546
tors. eta vs tors. theta energy: -48.197
Dist. restrs. and SS energy: 14.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -807.197295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.197295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.423361 (E_RNA)
where:
Base-Base interactions energy: -568.898
where: short stacking energy: -208.240
Base-Backbone interact. energy: 2.440
local terms energy: -256.965639
where:
bonds (distance) C4'-P energy: -55.685
bonds (distance) P-C4' energy: -58.585
flat angles C4'-P-C4' energy: -70.058
flat angles P-C4'-P energy: -30.762
tors. eta vs tors. theta energy: -41.876
Dist. restrs. and SS energy: 16.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1160.149013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.149013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.604571 (E_RNA)
where:
Base-Base interactions energy: -807.467
where: short stacking energy: -330.936
Base-Backbone interact. energy: 0.747
local terms energy: -356.885311
where:
bonds (distance) C4'-P energy: -78.132
bonds (distance) P-C4' energy: -71.195
flat angles C4'-P-C4' energy: -73.102
flat angles P-C4'-P energy: -44.808
tors. eta vs tors. theta energy: -89.647
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: 2, replica: 8
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1167.396634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.396634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.437740 (E_RNA)
where:
Base-Base interactions energy: -805.570
where: short stacking energy: -336.449
Base-Backbone interact. energy: -1.062
local terms energy: -363.805004
where:
bonds (distance) C4'-P energy: -68.373
bonds (distance) P-C4' energy: -78.120
flat angles C4'-P-C4' energy: -78.829
flat angles P-C4'-P energy: -45.837
tors. eta vs tors. theta energy: -92.646
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: 13
Temperature: 1.000000
Total energy: -1083.092612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.092612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.234428 (E_RNA)
where:
Base-Base interactions energy: -755.208
where: short stacking energy: -290.330
Base-Backbone interact. energy: -4.568
local terms energy: -329.458216
where:
bonds (distance) C4'-P energy: -67.310
bonds (distance) P-C4' energy: -67.841
flat angles C4'-P-C4' energy: -80.050
flat angles P-C4'-P energy: -39.986
tors. eta vs tors. theta energy: -74.271
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: 4, replica: 5
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1070.103620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.103620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.280834 (E_RNA)
where:
Base-Base interactions energy: -735.813
where: short stacking energy: -305.994
Base-Backbone interact. energy: -2.573
local terms energy: -338.895204
where:
bonds (distance) C4'-P energy: -65.063
bonds (distance) P-C4' energy: -77.492
flat angles C4'-P-C4' energy: -67.776
flat angles P-C4'-P energy: -40.392
tors. eta vs tors. theta energy: -88.171
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: 5, replica: 2
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -971.946337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.946337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.161471 (E_RNA)
where:
Base-Base interactions energy: -684.309
where: short stacking energy: -260.956
Base-Backbone interact. energy: -3.180
local terms energy: -294.672507
where:
bonds (distance) C4'-P energy: -58.475
bonds (distance) P-C4' energy: -64.677
flat angles C4'-P-C4' energy: -69.284
flat angles P-C4'-P energy: -44.748
tors. eta vs tors. theta energy: -57.490
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: 6, replica: 3
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -969.782864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.782864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.891976 (E_RNA)
where:
Base-Base interactions energy: -678.836
where: short stacking energy: -264.343
Base-Backbone interact. energy: -0.698
local terms energy: -297.358361
where:
bonds (distance) C4'-P energy: -63.691
bonds (distance) P-C4' energy: -58.313
flat angles C4'-P-C4' energy: -65.222
flat angles P-C4'-P energy: -43.609
tors. eta vs tors. theta energy: -66.523
Dist. restrs. and SS energy: 7.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -894.315925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.315925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.975789 (E_RNA)
where:
Base-Base interactions energy: -617.138
where: short stacking energy: -242.360
Base-Backbone interact. energy: 0.045
local terms energy: -279.883110
where:
bonds (distance) C4'-P energy: -57.680
bonds (distance) P-C4' energy: -54.874
flat angles C4'-P-C4' energy: -68.529
flat angles P-C4'-P energy: -42.429
tors. eta vs tors. theta energy: -56.372
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: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -904.546930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.546930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.654093 (E_RNA)
where:
Base-Base interactions energy: -623.940
where: short stacking energy: -255.186
Base-Backbone interact. energy: -2.847
local terms energy: -286.867160
where:
bonds (distance) C4'-P energy: -60.671
bonds (distance) P-C4' energy: -59.047
flat angles C4'-P-C4' energy: -75.432
flat angles P-C4'-P energy: -28.795
tors. eta vs tors. theta energy: -62.922
Dist. restrs. and SS energy: 9.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -831.126737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.126737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.796148 (E_RNA)
where:
Base-Base interactions energy: -568.749
where: short stacking energy: -232.697
Base-Backbone interact. energy: -1.669
local terms energy: -272.377631
where:
bonds (distance) C4'-P energy: -63.835
bonds (distance) P-C4' energy: -59.197
flat angles C4'-P-C4' energy: -61.010
flat angles P-C4'-P energy: -31.600
tors. eta vs tors. theta energy: -56.736
Dist. restrs. and SS energy: 11.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -799.859898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.859898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.227263 (E_RNA)
where:
Base-Base interactions energy: -575.841
where: short stacking energy: -232.673
Base-Backbone interact. energy: 1.452
local terms energy: -240.839105
where:
bonds (distance) C4'-P energy: -40.496
bonds (distance) P-C4' energy: -61.176
flat angles C4'-P-C4' energy: -59.254
flat angles P-C4'-P energy: -21.978
tors. eta vs tors. theta energy: -57.935
Dist. restrs. and SS energy: 15.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1192.116973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.116973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.266333 (E_RNA)
where:
Base-Base interactions energy: -838.541
where: short stacking energy: -339.778
Base-Backbone interact. energy: -0.998
local terms energy: -356.727611
where:
bonds (distance) C4'-P energy: -75.449
bonds (distance) P-C4' energy: -64.347
flat angles C4'-P-C4' energy: -71.929
flat angles P-C4'-P energy: -48.080
tors. eta vs tors. theta energy: -96.924
Dist. restrs. and SS energy: 4.149 (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: 8
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1192.700820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.700820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.253861 (E_RNA)
where:
Base-Base interactions energy: -824.520
where: short stacking energy: -334.534
Base-Backbone interact. energy: -2.692
local terms energy: -370.041901
where:
bonds (distance) C4'-P energy: -68.842
bonds (distance) P-C4' energy: -71.621
flat angles C4'-P-C4' energy: -71.434
flat angles P-C4'-P energy: -54.269
tors. eta vs tors. theta energy: -103.876
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: 3, replica: 9
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1109.556998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.556998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.335152 (E_RNA)
where:
Base-Base interactions energy: -792.910
where: short stacking energy: -317.258
Base-Backbone interact. energy: -1.641
local terms energy: -320.784145
where:
bonds (distance) C4'-P energy: -63.151
bonds (distance) P-C4' energy: -57.478
flat angles C4'-P-C4' energy: -72.237
flat angles P-C4'-P energy: -51.663
tors. eta vs tors. theta energy: -76.256
Dist. restrs. and SS energy: 5.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1046.242722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.242722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.718631 (E_RNA)
where:
Base-Base interactions energy: -730.182
where: short stacking energy: -306.164
Base-Backbone interact. energy: -0.751
local terms energy: -322.785329
where:
bonds (distance) C4'-P energy: -60.489
bonds (distance) P-C4' energy: -64.769
flat angles C4'-P-C4' energy: -68.589
flat angles P-C4'-P energy: -49.189
tors. eta vs tors. theta energy: -79.749
Dist. restrs. and SS energy: 7.476 (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: 2
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1000.442867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.442867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.725110 (E_RNA)
where:
Base-Base interactions energy: -693.755
where: short stacking energy: -285.638
Base-Backbone interact. energy: 1.421
local terms energy: -316.391267
where:
bonds (distance) C4'-P energy: -71.833
bonds (distance) P-C4' energy: -66.837
flat angles C4'-P-C4' energy: -62.206
flat angles P-C4'-P energy: -42.327
tors. eta vs tors. theta energy: -73.188
Dist. restrs. and SS energy: 8.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -968.146872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.146872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.115580 (E_RNA)
where:
Base-Base interactions energy: -657.368
where: short stacking energy: -258.789
Base-Backbone interact. energy: -1.624
local terms energy: -315.122900
where:
bonds (distance) C4'-P energy: -69.614
bonds (distance) P-C4' energy: -65.496
flat angles C4'-P-C4' energy: -61.900
flat angles P-C4'-P energy: -45.346
tors. eta vs tors. theta energy: -72.767
Dist. restrs. and SS energy: 5.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -935.743206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.743206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.158894 (E_RNA)
where:
Base-Base interactions energy: -637.894
where: short stacking energy: -256.319
Base-Backbone interact. energy: -4.317
local terms energy: -297.947402
where:
bonds (distance) C4'-P energy: -58.430
bonds (distance) P-C4' energy: -62.468
flat angles C4'-P-C4' energy: -69.426
flat angles P-C4'-P energy: -38.697
tors. eta vs tors. theta energy: -68.926
Dist. restrs. and SS energy: 4.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -839.813246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.813246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.419124 (E_RNA)
where:
Base-Base interactions energy: -570.097
where: short stacking energy: -241.900
Base-Backbone interact. energy: 4.935
local terms energy: -281.256982
where:
bonds (distance) C4'-P energy: -63.300
bonds (distance) P-C4' energy: -68.288
flat angles C4'-P-C4' energy: -56.117
flat angles P-C4'-P energy: -32.900
tors. eta vs tors. theta energy: -60.652
Dist. restrs. and SS energy: 6.606 (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: 7
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -861.011167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.011167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.323203 (E_RNA)
where:
Base-Base interactions energy: -594.833
where: short stacking energy: -245.221
Base-Backbone interact. energy: 3.648
local terms energy: -280.138062
where:
bonds (distance) C4'-P energy: -51.484
bonds (distance) P-C4' energy: -63.771
flat angles C4'-P-C4' energy: -60.382
flat angles P-C4'-P energy: -39.471
tors. eta vs tors. theta energy: -65.030
Dist. restrs. and SS energy: 10.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -755.863197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.863197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.180236 (E_RNA)
where:
Base-Base interactions energy: -526.987
where: short stacking energy: -220.194
Base-Backbone interact. energy: 1.435
local terms energy: -245.628341
where:
bonds (distance) C4'-P energy: -49.859
bonds (distance) P-C4' energy: -58.022
flat angles C4'-P-C4' energy: -52.198
flat angles P-C4'-P energy: -29.177
tors. eta vs tors. theta energy: -56.373
Dist. restrs. and SS energy: 15.317 (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: 4
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1193.827243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.827243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.230167 (E_RNA)
where:
Base-Base interactions energy: -823.141
where: short stacking energy: -337.563
Base-Backbone interact. energy: -0.926
local terms energy: -373.162887
where:
bonds (distance) C4'-P energy: -70.985
bonds (distance) P-C4' energy: -78.219
flat angles C4'-P-C4' energy: -83.517
flat angles P-C4'-P energy: -48.256
tors. eta vs tors. theta energy: -92.186
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: 2, replica: 8
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1200.820292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.820292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.152980 (E_RNA)
where:
Base-Base interactions energy: -832.785
where: short stacking energy: -337.655
Base-Backbone interact. energy: -1.350
local terms energy: -369.018553
where:
bonds (distance) C4'-P energy: -78.624
bonds (distance) P-C4' energy: -59.304
flat angles C4'-P-C4' energy: -78.192
flat angles P-C4'-P energy: -54.793
tors. eta vs tors. theta energy: -98.107
Dist. restrs. and SS energy: 2.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1101.381034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.381034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.775180 (E_RNA)
where:
Base-Base interactions energy: -786.275
where: short stacking energy: -319.594
Base-Backbone interact. energy: -3.469
local terms energy: -316.030281
where:
bonds (distance) C4'-P energy: -63.570
bonds (distance) P-C4' energy: -55.293
flat angles C4'-P-C4' energy: -73.857
flat angles P-C4'-P energy: -49.327
tors. eta vs tors. theta energy: -73.982
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: 4, replica: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1033.259631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.259631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.083193 (E_RNA)
where:
Base-Base interactions energy: -729.058
where: short stacking energy: -286.997
Base-Backbone interact. energy: -1.459
local terms energy: -309.566439
where:
bonds (distance) C4'-P energy: -60.994
bonds (distance) P-C4' energy: -61.781
flat angles C4'-P-C4' energy: -65.278
flat angles P-C4'-P energy: -49.486
tors. eta vs tors. theta energy: -72.028
Dist. restrs. and SS energy: 6.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -974.921515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.921515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.684873 (E_RNA)
where:
Base-Base interactions energy: -658.576
where: short stacking energy: -279.179
Base-Backbone interact. energy: -0.577
local terms energy: -320.531454
where:
bonds (distance) C4'-P energy: -72.606
bonds (distance) P-C4' energy: -63.290
flat angles C4'-P-C4' energy: -73.507
flat angles P-C4'-P energy: -49.101
tors. eta vs tors. theta energy: -62.027
Dist. restrs. and SS energy: 4.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -1021.697081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.697081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.680927 (E_RNA)
where:
Base-Base interactions energy: -725.984
where: short stacking energy: -297.025
Base-Backbone interact. energy: -2.340
local terms energy: -296.357125
where:
bonds (distance) C4'-P energy: -60.502
bonds (distance) P-C4' energy: -58.214
flat angles C4'-P-C4' energy: -72.318
flat angles P-C4'-P energy: -38.876
tors. eta vs tors. theta energy: -66.446
Dist. restrs. and SS energy: 2.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -938.476980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.476980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.617373 (E_RNA)
where:
Base-Base interactions energy: -649.605
where: short stacking energy: -263.360
Base-Backbone interact. energy: -0.437
local terms energy: -293.575262
where:
bonds (distance) C4'-P energy: -39.061
bonds (distance) P-C4' energy: -53.252
flat angles C4'-P-C4' energy: -67.177
flat angles P-C4'-P energy: -52.552
tors. eta vs tors. theta energy: -81.533
Dist. restrs. and SS energy: 5.140 (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: 15
Temperature: 1.250000
Total energy: -911.366032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.366032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.538511 (E_RNA)
where:
Base-Base interactions energy: -616.114
where: short stacking energy: -246.459
Base-Backbone interact. energy: -1.708
local terms energy: -297.716581
where:
bonds (distance) C4'-P energy: -62.608
bonds (distance) P-C4' energy: -71.804
flat angles C4'-P-C4' energy: -65.985
flat angles P-C4'-P energy: -33.476
tors. eta vs tors. theta energy: -63.843
Dist. restrs. and SS energy: 4.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -824.149464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.149464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.012578 (E_RNA)
where:
Base-Base interactions energy: -573.404
where: short stacking energy: -230.932
Base-Backbone interact. energy: 0.318
local terms energy: -253.926753
where:
bonds (distance) C4'-P energy: -60.263
bonds (distance) P-C4' energy: -47.291
flat angles C4'-P-C4' energy: -56.304
flat angles P-C4'-P energy: -43.115
tors. eta vs tors. theta energy: -46.954
Dist. restrs. and SS energy: 2.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -786.602641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.602641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.763084 (E_RNA)
where:
Base-Base interactions energy: -535.017
where: short stacking energy: -217.761
Base-Backbone interact. energy: -0.158
local terms energy: -272.588011
where:
bonds (distance) C4'-P energy: -62.229
bonds (distance) P-C4' energy: -58.647
flat angles C4'-P-C4' energy: -70.054
flat angles P-C4'-P energy: -28.283
tors. eta vs tors. theta energy: -53.374
Dist. restrs. and SS energy: 21.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1218.844086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.844086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.001444 (E_RNA)
where:
Base-Base interactions energy: -847.996
where: short stacking energy: -348.217
Base-Backbone interact. energy: -0.565
local terms energy: -374.439671
where:
bonds (distance) C4'-P energy: -72.451
bonds (distance) P-C4' energy: -64.971
flat angles C4'-P-C4' energy: -76.381
flat angles P-C4'-P energy: -62.315
tors. eta vs tors. theta energy: -98.322
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: 2, replica: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1171.991513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.991513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.869766 (E_RNA)
where:
Base-Base interactions energy: -809.912
where: short stacking energy: -356.299
Base-Backbone interact. energy: 1.117
local terms energy: -366.075446
where:
bonds (distance) C4'-P energy: -68.514
bonds (distance) P-C4' energy: -68.559
flat angles C4'-P-C4' energy: -79.705
flat angles P-C4'-P energy: -52.073
tors. eta vs tors. theta energy: -97.225
Dist. restrs. and SS energy: 2.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1101.835274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.835274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.718765 (E_RNA)
where:
Base-Base interactions energy: -794.472
where: short stacking energy: -312.854
Base-Backbone interact. energy: -1.985
local terms energy: -310.261184
where:
bonds (distance) C4'-P energy: -59.119
bonds (distance) P-C4' energy: -61.907
flat angles C4'-P-C4' energy: -69.734
flat angles P-C4'-P energy: -44.799
tors. eta vs tors. theta energy: -74.703
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: 4, replica: 5
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1043.427696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.427696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.255183 (E_RNA)
where:
Base-Base interactions energy: -736.399
where: short stacking energy: -292.446
Base-Backbone interact. energy: 0.686
local terms energy: -313.542041
where:
bonds (distance) C4'-P energy: -66.300
bonds (distance) P-C4' energy: -61.520
flat angles C4'-P-C4' energy: -69.080
flat angles P-C4'-P energy: -52.636
tors. eta vs tors. theta energy: -64.006
Dist. restrs. and SS energy: 5.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1018.295535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.295535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.241595 (E_RNA)
where:
Base-Base interactions energy: -716.752
where: short stacking energy: -287.826
Base-Backbone interact. energy: 2.650
local terms energy: -313.140082
where:
bonds (distance) C4'-P energy: -62.147
bonds (distance) P-C4' energy: -65.036
flat angles C4'-P-C4' energy: -66.550
flat angles P-C4'-P energy: -52.392
tors. eta vs tors. theta energy: -67.016
Dist. restrs. and SS energy: 8.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -951.252839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.252839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.144585 (E_RNA)
where:
Base-Base interactions energy: -664.974
where: short stacking energy: -274.817
Base-Backbone interact. energy: -0.568
local terms energy: -290.602331
where:
bonds (distance) C4'-P energy: -55.447
bonds (distance) P-C4' energy: -58.513
flat angles C4'-P-C4' energy: -66.283
flat angles P-C4'-P energy: -38.413
tors. eta vs tors. theta energy: -71.947
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: 7, replica: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -968.806755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.806755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.133780 (E_RNA)
where:
Base-Base interactions energy: -682.236
where: short stacking energy: -265.216
Base-Backbone interact. energy: -1.266
local terms energy: -294.632090
where:
bonds (distance) C4'-P energy: -58.775
bonds (distance) P-C4' energy: -61.730
flat angles C4'-P-C4' energy: -68.455
flat angles P-C4'-P energy: -34.831
tors. eta vs tors. theta energy: -70.842
Dist. restrs. and SS energy: 9.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -935.189741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.189741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.101741 (E_RNA)
where:
Base-Base interactions energy: -648.169
where: short stacking energy: -258.524
Base-Backbone interact. energy: -1.872
local terms energy: -294.060933
where:
bonds (distance) C4'-P energy: -62.014
bonds (distance) P-C4' energy: -68.477
flat angles C4'-P-C4' energy: -62.709
flat angles P-C4'-P energy: -42.680
tors. eta vs tors. theta energy: -58.181
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: 9, replica: 1
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -898.625798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.625798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.697855 (E_RNA)
where:
Base-Base interactions energy: -634.865
where: short stacking energy: -228.829
Base-Backbone interact. energy: 1.108
local terms energy: -265.939954
where:
bonds (distance) C4'-P energy: -56.444
bonds (distance) P-C4' energy: -50.951
flat angles C4'-P-C4' energy: -55.697
flat angles P-C4'-P energy: -47.875
tors. eta vs tors. theta energy: -54.972
Dist. restrs. and SS energy: 1.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -802.436956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.436956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.370183 (E_RNA)
where:
Base-Base interactions energy: -562.509
where: short stacking energy: -242.340
Base-Backbone interact. energy: 0.144
local terms energy: -255.005253
where:
bonds (distance) C4'-P energy: -50.445
bonds (distance) P-C4' energy: -54.144
flat angles C4'-P-C4' energy: -57.491
flat angles P-C4'-P energy: -35.897
tors. eta vs tors. theta energy: -57.028
Dist. restrs. and SS energy: 14.933 (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: 8
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1235.729072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.729072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.875467 (E_RNA)
where:
Base-Base interactions energy: -862.524
where: short stacking energy: -365.499
Base-Backbone interact. energy: 0.664
local terms energy: -378.015615
where:
bonds (distance) C4'-P energy: -63.583
bonds (distance) P-C4' energy: -66.993
flat angles C4'-P-C4' energy: -73.343
flat angles P-C4'-P energy: -62.779
tors. eta vs tors. theta energy: -111.317
Dist. restrs. and SS energy: 4.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1142.814068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.814068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.138760 (E_RNA)
where:
Base-Base interactions energy: -799.690
where: short stacking energy: -318.941
Base-Backbone interact. energy: -1.263
local terms energy: -345.186628
where:
bonds (distance) C4'-P energy: -63.564
bonds (distance) P-C4' energy: -68.919
flat angles C4'-P-C4' energy: -75.014
flat angles P-C4'-P energy: -47.894
tors. eta vs tors. theta energy: -89.796
Dist. restrs. and SS energy: 3.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1111.898761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.898761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.403716 (E_RNA)
where:
Base-Base interactions energy: -778.521
where: short stacking energy: -318.716
Base-Backbone interact. energy: -0.034
local terms energy: -338.847878
where:
bonds (distance) C4'-P energy: -70.601
bonds (distance) P-C4' energy: -66.897
flat angles C4'-P-C4' energy: -69.628
flat angles P-C4'-P energy: -50.317
tors. eta vs tors. theta energy: -81.404
Dist. restrs. and SS energy: 5.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1078.346814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.346814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.651775 (E_RNA)
where:
Base-Base interactions energy: -759.391
where: short stacking energy: -301.533
Base-Backbone interact. energy: -2.194
local terms energy: -326.066878
where:
bonds (distance) C4'-P energy: -70.913
bonds (distance) P-C4' energy: -60.147
flat angles C4'-P-C4' energy: -75.644
flat angles P-C4'-P energy: -47.302
tors. eta vs tors. theta energy: -72.060
Dist. restrs. and SS energy: 9.305 (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: 5
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -991.524420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.524420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.436620 (E_RNA)
where:
Base-Base interactions energy: -715.721
where: short stacking energy: -268.333
Base-Backbone interact. energy: -3.516
local terms energy: -278.199769
where:
bonds (distance) C4'-P energy: -60.177
bonds (distance) P-C4' energy: -64.873
flat angles C4'-P-C4' energy: -61.433
flat angles P-C4'-P energy: -30.203
tors. eta vs tors. theta energy: -61.514
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: 6, replica: 7
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -970.999569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.999569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.886858 (E_RNA)
where:
Base-Base interactions energy: -667.347
where: short stacking energy: -274.738
Base-Backbone interact. energy: -1.560
local terms energy: -304.979587
where:
bonds (distance) C4'-P energy: -55.915
bonds (distance) P-C4' energy: -68.220
flat angles C4'-P-C4' energy: -59.253
flat angles P-C4'-P energy: -46.795
tors. eta vs tors. theta energy: -74.796
Dist. restrs. and SS energy: 2.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -915.171364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.171364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.070440 (E_RNA)
where:
Base-Base interactions energy: -648.627
where: short stacking energy: -269.715
Base-Backbone interact. energy: 0.760
local terms energy: -277.203128
where:
bonds (distance) C4'-P energy: -62.784
bonds (distance) P-C4' energy: -63.045
flat angles C4'-P-C4' energy: -65.149
flat angles P-C4'-P energy: -24.207
tors. eta vs tors. theta energy: -62.018
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: 8, replica: 10
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -945.702817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.702817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.349910 (E_RNA)
where:
Base-Base interactions energy: -655.224
where: short stacking energy: -265.177
Base-Backbone interact. energy: -1.791
local terms energy: -297.334978
where:
bonds (distance) C4'-P energy: -54.914
bonds (distance) P-C4' energy: -60.743
flat angles C4'-P-C4' energy: -71.010
flat angles P-C4'-P energy: -44.579
tors. eta vs tors. theta energy: -66.089
Dist. restrs. and SS energy: 8.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -914.531134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.531134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.905083 (E_RNA)
where:
Base-Base interactions energy: -614.839
where: short stacking energy: -246.338
Base-Backbone interact. energy: -4.754
local terms energy: -297.312165
where:
bonds (distance) C4'-P energy: -66.540
bonds (distance) P-C4' energy: -65.232
flat angles C4'-P-C4' energy: -50.057
flat angles P-C4'-P energy: -49.914
tors. eta vs tors. theta energy: -65.569
Dist. restrs. and SS energy: 2.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -797.105110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.105110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.544339 (E_RNA)
where:
Base-Base interactions energy: -550.337
where: short stacking energy: -218.249
Base-Backbone interact. energy: 1.665
local terms energy: -254.872891
where:
bonds (distance) C4'-P energy: -54.941
bonds (distance) P-C4' energy: -49.288
flat angles C4'-P-C4' energy: -61.689
flat angles P-C4'-P energy: -42.262
tors. eta vs tors. theta energy: -46.692
Dist. restrs. and SS energy: 6.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1236.490173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.490173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.374812 (E_RNA)
where:
Base-Base interactions energy: -858.694
where: short stacking energy: -363.809
Base-Backbone interact. energy: -2.014
local terms energy: -379.666606
where:
bonds (distance) C4'-P energy: -64.117
bonds (distance) P-C4' energy: -76.525
flat angles C4'-P-C4' energy: -78.568
flat angles P-C4'-P energy: -50.129
tors. eta vs tors. theta energy: -110.327
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: 2, replica: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1145.640253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.640253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.740195 (E_RNA)
where:
Base-Base interactions energy: -795.008
where: short stacking energy: -328.971
Base-Backbone interact. energy: -0.105
local terms energy: -355.626907
where:
bonds (distance) C4'-P energy: -67.602
bonds (distance) P-C4' energy: -64.421
flat angles C4'-P-C4' energy: -81.840
flat angles P-C4'-P energy: -52.055
tors. eta vs tors. theta energy: -89.707
Dist. restrs. and SS energy: 5.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1114.342347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.342347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.185417 (E_RNA)
where:
Base-Base interactions energy: -790.907
where: short stacking energy: -325.908
Base-Backbone interact. energy: 1.176
local terms energy: -331.453723
where:
bonds (distance) C4'-P energy: -74.672
bonds (distance) P-C4' energy: -57.515
flat angles C4'-P-C4' energy: -63.094
flat angles P-C4'-P energy: -52.539
tors. eta vs tors. theta energy: -83.634
Dist. restrs. and SS energy: 6.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1065.419819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.419819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.322384 (E_RNA)
where:
Base-Base interactions energy: -742.002
where: short stacking energy: -304.067
Base-Backbone interact. energy: -2.018
local terms energy: -324.302313
where:
bonds (distance) C4'-P energy: -67.057
bonds (distance) P-C4' energy: -57.992
flat angles C4'-P-C4' energy: -67.901
flat angles P-C4'-P energy: -43.440
tors. eta vs tors. theta energy: -87.912
Dist. restrs. and SS energy: 2.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1026.950498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.950498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.759089 (E_RNA)
where:
Base-Base interactions energy: -733.297
where: short stacking energy: -299.964
Base-Backbone interact. energy: -1.551
local terms energy: -299.911221
where:
bonds (distance) C4'-P energy: -49.726
bonds (distance) P-C4' energy: -58.915
flat angles C4'-P-C4' energy: -70.803
flat angles P-C4'-P energy: -45.679
tors. eta vs tors. theta energy: -74.787
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: 6, replica: 5
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1000.094714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.094714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.401475 (E_RNA)
where:
Base-Base interactions energy: -710.735
where: short stacking energy: -289.182
Base-Backbone interact. energy: -1.719
local terms energy: -292.948149
where:
bonds (distance) C4'-P energy: -57.755
bonds (distance) P-C4' energy: -70.795
flat angles C4'-P-C4' energy: -68.501
flat angles P-C4'-P energy: -37.725
tors. eta vs tors. theta energy: -58.172
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: 7, replica: 2
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -950.077979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.077979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.956891 (E_RNA)
where:
Base-Base interactions energy: -657.383
where: short stacking energy: -253.330
Base-Backbone interact. energy: -2.829
local terms energy: -294.744631
where:
bonds (distance) C4'-P energy: -58.425
bonds (distance) P-C4' energy: -69.778
flat angles C4'-P-C4' energy: -72.844
flat angles P-C4'-P energy: -39.737
tors. eta vs tors. theta energy: -53.959
Dist. restrs. and SS energy: 4.879 (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: 18
Temperature: 1.250000
Total energy: -884.468625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.468625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.204059 (E_RNA)
where:
Base-Base interactions energy: -608.117
where: short stacking energy: -236.042
Base-Backbone interact. energy: 0.084
local terms energy: -287.171117
where:
bonds (distance) C4'-P energy: -53.672
bonds (distance) P-C4' energy: -61.086
flat angles C4'-P-C4' energy: -68.682
flat angles P-C4'-P energy: -50.122
tors. eta vs tors. theta energy: -53.609
Dist. restrs. and SS energy: 10.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -940.030812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.030812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.770364 (E_RNA)
where:
Base-Base interactions energy: -634.336
where: short stacking energy: -253.388
Base-Backbone interact. energy: -2.374
local terms energy: -309.060490
where:
bonds (distance) C4'-P energy: -70.833
bonds (distance) P-C4' energy: -62.778
flat angles C4'-P-C4' energy: -64.083
flat angles P-C4'-P energy: -47.265
tors. eta vs tors. theta energy: -64.101
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: 10, replica: 6
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -771.041281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.041281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.528560 (E_RNA)
where:
Base-Base interactions energy: -537.565
where: short stacking energy: -202.286
Base-Backbone interact. energy: -0.261
local terms energy: -248.702616
where:
bonds (distance) C4'-P energy: -58.862
bonds (distance) P-C4' energy: -60.796
flat angles C4'-P-C4' energy: -51.110
flat angles P-C4'-P energy: -30.951
tors. eta vs tors. theta energy: -46.983
Dist. restrs. and SS energy: 15.487 (S_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: 19
Temperature: 0.900000
Total energy: -1225.213266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.213266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.964731 (E_RNA)
where:
Base-Base interactions energy: -854.037
where: short stacking energy: -336.228
Base-Backbone interact. energy: -3.047
local terms energy: -374.880897
where:
bonds (distance) C4'-P energy: -65.064
bonds (distance) P-C4' energy: -73.353
flat angles C4'-P-C4' energy: -80.854
flat angles P-C4'-P energy: -52.363
tors. eta vs tors. theta energy: -103.247
Dist. restrs. and SS energy: 6.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1125.754597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.754597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.038355 (E_RNA)
where:
Base-Base interactions energy: -773.968
where: short stacking energy: -316.069
Base-Backbone interact. energy: 0.418
local terms energy: -355.488239
where:
bonds (distance) C4'-P energy: -77.197
bonds (distance) P-C4' energy: -69.942
flat angles C4'-P-C4' energy: -76.138
flat angles P-C4'-P energy: -43.789
tors. eta vs tors. theta energy: -88.421
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: 9
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1115.305314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.305314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.286157 (E_RNA)
where:
Base-Base interactions energy: -763.517
where: short stacking energy: -330.911
Base-Backbone interact. energy: 4.143
local terms energy: -361.911743
where:
bonds (distance) C4'-P energy: -71.833
bonds (distance) P-C4' energy: -72.436
flat angles C4'-P-C4' energy: -75.410
flat angles P-C4'-P energy: -58.779
tors. eta vs tors. theta energy: -83.453
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: 4, replica: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1068.283552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.283552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.399611 (E_RNA)
where:
Base-Base interactions energy: -744.246
where: short stacking energy: -301.873
Base-Backbone interact. energy: -2.321
local terms energy: -323.832291
where:
bonds (distance) C4'-P energy: -52.831
bonds (distance) P-C4' energy: -78.514
flat angles C4'-P-C4' energy: -70.974
flat angles P-C4'-P energy: -45.276
tors. eta vs tors. theta energy: -76.238
Dist. restrs. and SS energy: 2.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1039.262701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.262701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.781680 (E_RNA)
where:
Base-Base interactions energy: -731.730
where: short stacking energy: -294.397
Base-Backbone interact. energy: -1.904
local terms energy: -309.146826
where:
bonds (distance) C4'-P energy: -53.527
bonds (distance) P-C4' energy: -69.124
flat angles C4'-P-C4' energy: -67.234
flat angles P-C4'-P energy: -42.879
tors. eta vs tors. theta energy: -76.383
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: 6, replica: 5
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1007.846479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.846479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.512665 (E_RNA)
where:
Base-Base interactions energy: -710.732
where: short stacking energy: -288.841
Base-Backbone interact. energy: -0.862
local terms energy: -298.918206
where:
bonds (distance) C4'-P energy: -68.382
bonds (distance) P-C4' energy: -52.519
flat angles C4'-P-C4' energy: -65.144
flat angles P-C4'-P energy: -44.844
tors. eta vs tors. theta energy: -68.029
Dist. restrs. and SS energy: 2.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -959.020634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.020634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.984496 (E_RNA)
where:
Base-Base interactions energy: -677.415
where: short stacking energy: -249.223
Base-Backbone interact. energy: 1.562
local terms energy: -287.131062
where:
bonds (distance) C4'-P energy: -53.462
bonds (distance) P-C4' energy: -55.265
flat angles C4'-P-C4' energy: -67.571
flat angles P-C4'-P energy: -51.449
tors. eta vs tors. theta energy: -59.384
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: 8, replica: 1
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -963.859147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.859147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.285797 (E_RNA)
where:
Base-Base interactions energy: -659.759
where: short stacking energy: -256.517
Base-Backbone interact. energy: -1.149
local terms energy: -307.378374
where:
bonds (distance) C4'-P energy: -63.276
bonds (distance) P-C4' energy: -59.876
flat angles C4'-P-C4' energy: -64.980
flat angles P-C4'-P energy: -44.807
tors. eta vs tors. theta energy: -74.440
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: 9, replica: 10
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -874.692213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.692213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.201478 (E_RNA)
where:
Base-Base interactions energy: -601.749
where: short stacking energy: -237.969
Base-Backbone interact. energy: 2.243
local terms energy: -279.694955
where:
bonds (distance) C4'-P energy: -58.425
bonds (distance) P-C4' energy: -59.359
flat angles C4'-P-C4' energy: -60.876
flat angles P-C4'-P energy: -33.534
tors. eta vs tors. theta energy: -67.500
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: 10, replica: 6
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -748.411094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.411094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.871700 (E_RNA)
where:
Base-Base interactions energy: -519.272
where: short stacking energy: -208.751
Base-Backbone interact. energy: -0.753
local terms energy: -238.846545
where:
bonds (distance) C4'-P energy: -43.315
bonds (distance) P-C4' energy: -53.287
flat angles C4'-P-C4' energy: -63.605
flat angles P-C4'-P energy: -30.053
tors. eta vs tors. theta energy: -48.585
Dist. restrs. and SS energy: 10.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1236.111519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.111519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.836994 (E_RNA)
where:
Base-Base interactions energy: -854.318
where: short stacking energy: -376.205
Base-Backbone interact. energy: -2.189
local terms energy: -383.330311
where:
bonds (distance) C4'-P energy: -75.102
bonds (distance) P-C4' energy: -64.859
flat angles C4'-P-C4' energy: -78.885
flat angles P-C4'-P energy: -56.772
tors. eta vs tors. theta energy: -107.712
Dist. restrs. and SS energy: 3.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1143.228232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.228232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.186143 (E_RNA)
where:
Base-Base interactions energy: -794.397
where: short stacking energy: -327.922
Base-Backbone interact. energy: -1.319
local terms energy: -351.469512
where:
bonds (distance) C4'-P energy: -59.116
bonds (distance) P-C4' energy: -68.840
flat angles C4'-P-C4' energy: -81.682
flat angles P-C4'-P energy: -47.348
tors. eta vs tors. theta energy: -94.483
Dist. restrs. and SS energy: 3.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1111.378725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.378725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.365339 (E_RNA)
where:
Base-Base interactions energy: -778.556
where: short stacking energy: -319.197
Base-Backbone interact. energy: -0.222
local terms energy: -338.587339
where:
bonds (distance) C4'-P energy: -68.465
bonds (distance) P-C4' energy: -67.453
flat angles C4'-P-C4' energy: -78.223
flat angles P-C4'-P energy: -44.735
tors. eta vs tors. theta energy: -79.711
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: 4, replica: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1076.641106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.641106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.471860 (E_RNA)
where:
Base-Base interactions energy: -739.804
where: short stacking energy: -306.255
Base-Backbone interact. energy: -3.378
local terms energy: -336.289495
where:
bonds (distance) C4'-P energy: -63.324
bonds (distance) P-C4' energy: -73.611
flat angles C4'-P-C4' energy: -73.316
flat angles P-C4'-P energy: -50.147
tors. eta vs tors. theta energy: -75.892
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: 5, replica: 7
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1031.301291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.301291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.557893 (E_RNA)
where:
Base-Base interactions energy: -729.594
where: short stacking energy: -291.321
Base-Backbone interact. energy: -0.798
local terms energy: -309.165061
where:
bonds (distance) C4'-P energy: -48.367
bonds (distance) P-C4' energy: -64.326
flat angles C4'-P-C4' energy: -62.931
flat angles P-C4'-P energy: -46.327
tors. eta vs tors. theta energy: -87.214
Dist. restrs. and SS energy: 8.257 (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: 5
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -955.353081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.353081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.785585 (E_RNA)
where:
Base-Base interactions energy: -687.664
where: short stacking energy: -248.256
Base-Backbone interact. energy: 1.598
local terms energy: -275.719973
where:
bonds (distance) C4'-P energy: -51.361
bonds (distance) P-C4' energy: -60.075
flat angles C4'-P-C4' energy: -67.449
flat angles P-C4'-P energy: -40.860
tors. eta vs tors. theta energy: -55.975
Dist. restrs. and SS energy: 6.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -953.947443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.947443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.120830 (E_RNA)
where:
Base-Base interactions energy: -653.873
where: short stacking energy: -259.655
Base-Backbone interact. energy: -0.556
local terms energy: -300.691571
where:
bonds (distance) C4'-P energy: -60.317
bonds (distance) P-C4' energy: -66.866
flat angles C4'-P-C4' energy: -60.088
flat angles P-C4'-P energy: -46.963
tors. eta vs tors. theta energy: -66.458
Dist. restrs. and SS energy: 1.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -931.825573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.825573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.914184 (E_RNA)
where:
Base-Base interactions energy: -646.824
where: short stacking energy: -261.378
Base-Backbone interact. energy: -1.127
local terms energy: -290.963149
where:
bonds (distance) C4'-P energy: -54.912
bonds (distance) P-C4' energy: -71.098
flat angles C4'-P-C4' energy: -54.861
flat angles P-C4'-P energy: -46.005
tors. eta vs tors. theta energy: -64.088
Dist. restrs. and SS energy: 7.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -914.856105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.856105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.009683 (E_RNA)
where:
Base-Base interactions energy: -644.001
where: short stacking energy: -246.251
Base-Backbone interact. energy: -3.035
local terms energy: -271.973601
where:
bonds (distance) C4'-P energy: -48.474
bonds (distance) P-C4' energy: -59.849
flat angles C4'-P-C4' energy: -63.680
flat angles P-C4'-P energy: -37.381
tors. eta vs tors. theta energy: -62.590
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: 6
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -755.049689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.049689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.893784 (E_RNA)
where:
Base-Base interactions energy: -511.889
where: short stacking energy: -208.669
Base-Backbone interact. energy: -0.291
local terms energy: -250.713300
where:
bonds (distance) C4'-P energy: -55.366
bonds (distance) P-C4' energy: -52.451
flat angles C4'-P-C4' energy: -60.456
flat angles P-C4'-P energy: -49.430
tors. eta vs tors. theta energy: -33.010
Dist. restrs. and SS energy: 7.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1242.585390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.585390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.752171 (E_RNA)
where:
Base-Base interactions energy: -865.193
where: short stacking energy: -372.091
Base-Backbone interact. energy: -2.069
local terms energy: -379.489867
where:
bonds (distance) C4'-P energy: -63.242
bonds (distance) P-C4' energy: -71.099
flat angles C4'-P-C4' energy: -75.424
flat angles P-C4'-P energy: -57.899
tors. eta vs tors. theta energy: -111.826
Dist. restrs. and SS energy: 4.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1146.858337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.858337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.106865 (E_RNA)
where:
Base-Base interactions energy: -795.568
where: short stacking energy: -333.925
Base-Backbone interact. energy: -3.304
local terms energy: -351.234873
where:
bonds (distance) C4'-P energy: -68.348
bonds (distance) P-C4' energy: -73.886
flat angles C4'-P-C4' energy: -70.128
flat angles P-C4'-P energy: -46.979
tors. eta vs tors. theta energy: -91.893
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: 3, replica: 9
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1147.732127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.732127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.812847 (E_RNA)
where:
Base-Base interactions energy: -825.328
where: short stacking energy: -322.772
Base-Backbone interact. energy: -2.267
local terms energy: -325.218264
where:
bonds (distance) C4'-P energy: -47.757
bonds (distance) P-C4' energy: -69.885
flat angles C4'-P-C4' energy: -77.352
flat angles P-C4'-P energy: -51.748
tors. eta vs tors. theta energy: -78.476
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: 4, replica: 3
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1054.391283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.391283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.996279 (E_RNA)
where:
Base-Base interactions energy: -726.388
where: short stacking energy: -302.901
Base-Backbone interact. energy: -1.964
local terms energy: -330.643747
where:
bonds (distance) C4'-P energy: -63.181
bonds (distance) P-C4' energy: -70.397
flat angles C4'-P-C4' energy: -72.101
flat angles P-C4'-P energy: -50.413
tors. eta vs tors. theta energy: -74.551
Dist. restrs. and SS energy: 4.605 (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: 7
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1040.195199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.195199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.001412 (E_RNA)
where:
Base-Base interactions energy: -726.922
where: short stacking energy: -296.726
Base-Backbone interact. energy: -1.400
local terms energy: -319.679515
where:
bonds (distance) C4'-P energy: -66.222
bonds (distance) P-C4' energy: -59.278
flat angles C4'-P-C4' energy: -73.670
flat angles P-C4'-P energy: -47.450
tors. eta vs tors. theta energy: -73.059
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: 6, replica: 5
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1043.782617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.782617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.592464 (E_RNA)
where:
Base-Base interactions energy: -743.245
where: short stacking energy: -287.128
Base-Backbone interact. energy: -3.687
local terms energy: -303.660158
where:
bonds (distance) C4'-P energy: -59.536
bonds (distance) P-C4' energy: -68.141
flat angles C4'-P-C4' energy: -58.685
flat angles P-C4'-P energy: -52.202
tors. eta vs tors. theta energy: -65.095
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: 1
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -974.408442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.408442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.514869 (E_RNA)
where:
Base-Base interactions energy: -662.555
where: short stacking energy: -270.823
Base-Backbone interact. energy: -3.167
local terms energy: -309.792212
where:
bonds (distance) C4'-P energy: -50.444
bonds (distance) P-C4' energy: -65.977
flat angles C4'-P-C4' energy: -69.069
flat angles P-C4'-P energy: -48.202
tors. eta vs tors. theta energy: -76.101
Dist. restrs. and SS energy: 1.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -919.359513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.359513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.733655 (E_RNA)
where:
Base-Base interactions energy: -632.404
where: short stacking energy: -236.443
Base-Backbone interact. energy: -0.771
local terms energy: -293.558151
where:
bonds (distance) C4'-P energy: -73.661
bonds (distance) P-C4' energy: -55.751
flat angles C4'-P-C4' energy: -66.127
flat angles P-C4'-P energy: -39.008
tors. eta vs tors. theta energy: -59.012
Dist. restrs. and SS energy: 7.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -866.403840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.403840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.841481 (E_RNA)
where:
Base-Base interactions energy: -617.501
where: short stacking energy: -233.168
Base-Backbone interact. energy: 1.686
local terms energy: -263.025873
where:
bonds (distance) C4'-P energy: -62.823
bonds (distance) P-C4' energy: -66.741
flat angles C4'-P-C4' energy: -46.356
flat angles P-C4'-P energy: -42.472
tors. eta vs tors. theta energy: -44.633
Dist. restrs. and SS energy: 12.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -758.712769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.712769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.878876 (E_RNA)
where:
Base-Base interactions energy: -511.231
where: short stacking energy: -204.475
Base-Backbone interact. energy: -1.012
local terms energy: -257.635329
where:
bonds (distance) C4'-P energy: -64.154
bonds (distance) P-C4' energy: -57.591
flat angles C4'-P-C4' energy: -66.697
flat angles P-C4'-P energy: -24.667
tors. eta vs tors. theta energy: -44.526
Dist. restrs. and SS energy: 11.166 (S_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: 22
Temperature: 0.900000
Total energy: -1246.677200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.677200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.720944 (E_RNA)
where:
Base-Base interactions energy: -867.285
where: short stacking energy: -357.826
Base-Backbone interact. energy: 1.736
local terms energy: -385.172083
where:
bonds (distance) C4'-P energy: -79.253
bonds (distance) P-C4' energy: -67.040
flat angles C4'-P-C4' energy: -79.803
flat angles P-C4'-P energy: -53.173
tors. eta vs tors. theta energy: -105.903
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: 2, replica: 4
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1171.574329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.574329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.182544 (E_RNA)
where:
Base-Base interactions energy: -807.319
where: short stacking energy: -347.832
Base-Backbone interact. energy: -3.938
local terms energy: -363.925454
where:
bonds (distance) C4'-P energy: -60.596
bonds (distance) P-C4' energy: -70.786
flat angles C4'-P-C4' energy: -77.010
flat angles P-C4'-P energy: -60.778
tors. eta vs tors. theta energy: -94.756
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: 3, replica: 9
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1122.582166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.582166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.952541 (E_RNA)
where:
Base-Base interactions energy: -776.462
where: short stacking energy: -301.007
Base-Backbone interact. energy: -3.255
local terms energy: -347.236160
where:
bonds (distance) C4'-P energy: -69.600
bonds (distance) P-C4' energy: -66.835
flat angles C4'-P-C4' energy: -77.292
flat angles P-C4'-P energy: -55.907
tors. eta vs tors. theta energy: -77.602
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: 4, replica: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1068.885307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.885307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.434080 (E_RNA)
where:
Base-Base interactions energy: -729.529
where: short stacking energy: -302.867
Base-Backbone interact. energy: -1.498
local terms energy: -343.406953
where:
bonds (distance) C4'-P energy: -67.593
bonds (distance) P-C4' energy: -62.611
flat angles C4'-P-C4' energy: -75.419
flat angles P-C4'-P energy: -59.362
tors. eta vs tors. theta energy: -78.422
Dist. restrs. and SS energy: 5.549 (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: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1067.964241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.964241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.975467 (E_RNA)
where:
Base-Base interactions energy: -753.118
where: short stacking energy: -289.348
Base-Backbone interact. energy: -1.495
local terms energy: -319.362162
where:
bonds (distance) C4'-P energy: -58.663
bonds (distance) P-C4' energy: -67.228
flat angles C4'-P-C4' energy: -70.211
flat angles P-C4'-P energy: -50.285
tors. eta vs tors. theta energy: -72.975
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: 6, replica: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1037.116858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.116858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.168549 (E_RNA)
where:
Base-Base interactions energy: -736.814
where: short stacking energy: -297.834
Base-Backbone interact. energy: -2.793
local terms energy: -310.561873
where:
bonds (distance) C4'-P energy: -50.041
bonds (distance) P-C4' energy: -57.851
flat angles C4'-P-C4' energy: -68.919
flat angles P-C4'-P energy: -51.989
tors. eta vs tors. theta energy: -81.762
Dist. restrs. and SS energy: 13.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -969.649338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.649338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.901565 (E_RNA)
where:
Base-Base interactions energy: -657.348
where: short stacking energy: -268.762
Base-Backbone interact. energy: -1.424
local terms energy: -316.129161
where:
bonds (distance) C4'-P energy: -62.596
bonds (distance) P-C4' energy: -61.126
flat angles C4'-P-C4' energy: -71.982
flat angles P-C4'-P energy: -47.305
tors. eta vs tors. theta energy: -73.120
Dist. restrs. and SS energy: 5.252 (S_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: 22
Temperature: 1.250000
Total energy: -935.233509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.233509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.272106 (E_RNA)
where:
Base-Base interactions energy: -655.202
where: short stacking energy: -260.270
Base-Backbone interact. energy: -0.332
local terms energy: -287.737794
where:
bonds (distance) C4'-P energy: -61.802
bonds (distance) P-C4' energy: -57.770
flat angles C4'-P-C4' energy: -65.188
flat angles P-C4'-P energy: -41.603
tors. eta vs tors. theta energy: -61.375
Dist. restrs. and SS energy: 8.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -881.656147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.656147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.344824 (E_RNA)
where:
Base-Base interactions energy: -649.718
where: short stacking energy: -220.002
Base-Backbone interact. energy: -0.800
local terms energy: -234.826761
where:
bonds (distance) C4'-P energy: -46.862
bonds (distance) P-C4' energy: -43.488
flat angles C4'-P-C4' energy: -55.397
flat angles P-C4'-P energy: -34.527
tors. eta vs tors. theta energy: -54.552
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: 10, replica: 6
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -788.608081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.608081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.601269 (E_RNA)
where:
Base-Base interactions energy: -556.792
where: short stacking energy: -223.135
Base-Backbone interact. energy: -2.984
local terms energy: -236.825244
where:
bonds (distance) C4'-P energy: -53.714
bonds (distance) P-C4' energy: -59.053
flat angles C4'-P-C4' energy: -44.956
flat angles P-C4'-P energy: -33.513
tors. eta vs tors. theta energy: -45.590
Dist. restrs. and SS energy: 7.993 (S_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: 23
Temperature: 0.900000
Total energy: -1255.083184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.083184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.709102 (E_RNA)
where:
Base-Base interactions energy: -863.271
where: short stacking energy: -355.783
Base-Backbone interact. energy: -1.577
local terms energy: -393.861205
where:
bonds (distance) C4'-P energy: -67.068
bonds (distance) P-C4' energy: -80.133
flat angles C4'-P-C4' energy: -77.447
flat angles P-C4'-P energy: -58.390
tors. eta vs tors. theta energy: -110.822
Dist. restrs. and SS energy: 3.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1150.374499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.374499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.478237 (E_RNA)
where:
Base-Base interactions energy: -793.369
where: short stacking energy: -349.106
Base-Backbone interact. energy: -2.659
local terms energy: -357.450850
where:
bonds (distance) C4'-P energy: -56.481
bonds (distance) P-C4' energy: -66.557
flat angles C4'-P-C4' energy: -82.179
flat angles P-C4'-P energy: -57.202
tors. eta vs tors. theta energy: -95.032
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: 3, replica: 9
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1145.145436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.145436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.714944 (E_RNA)
where:
Base-Base interactions energy: -819.179
where: short stacking energy: -322.257
Base-Backbone interact. energy: 1.642
local terms energy: -331.177784
where:
bonds (distance) C4'-P energy: -54.835
bonds (distance) P-C4' energy: -65.466
flat angles C4'-P-C4' energy: -80.179
flat angles P-C4'-P energy: -51.355
tors. eta vs tors. theta energy: -79.344
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: 4, replica: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1072.343572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.343572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.476472 (E_RNA)
where:
Base-Base interactions energy: -732.866
where: short stacking energy: -289.516
Base-Backbone interact. energy: -1.190
local terms energy: -342.420956
where:
bonds (distance) C4'-P energy: -64.987
bonds (distance) P-C4' energy: -73.706
flat angles C4'-P-C4' energy: -71.243
flat angles P-C4'-P energy: -54.841
tors. eta vs tors. theta energy: -77.645
Dist. restrs. and SS energy: 4.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1039.163237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.163237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.287086 (E_RNA)
where:
Base-Base interactions energy: -731.416
where: short stacking energy: -285.507
Base-Backbone interact. energy: 2.143
local terms energy: -317.013737
where:
bonds (distance) C4'-P energy: -66.184
bonds (distance) P-C4' energy: -56.694
flat angles C4'-P-C4' energy: -67.661
flat angles P-C4'-P energy: -53.781
tors. eta vs tors. theta energy: -72.694
Dist. restrs. and SS energy: 7.124 (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: 7
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1028.335088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.335088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.031503 (E_RNA)
where:
Base-Base interactions energy: -729.926
where: short stacking energy: -300.358
Base-Backbone interact. energy: 1.078
local terms energy: -308.184014
where:
bonds (distance) C4'-P energy: -54.923
bonds (distance) P-C4' energy: -66.602
flat angles C4'-P-C4' energy: -70.020
flat angles P-C4'-P energy: -40.947
tors. eta vs tors. theta energy: -75.692
Dist. restrs. and SS energy: 8.696 (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: 1
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -964.145160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.145160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.430168 (E_RNA)
where:
Base-Base interactions energy: -671.855
where: short stacking energy: -280.642
Base-Backbone interact. energy: -1.139
local terms energy: -294.436037
where:
bonds (distance) C4'-P energy: -62.121
bonds (distance) P-C4' energy: -60.097
flat angles C4'-P-C4' energy: -65.495
flat angles P-C4'-P energy: -35.161
tors. eta vs tors. theta energy: -71.563
Dist. restrs. and SS energy: 3.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -934.312565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.312565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.266528 (E_RNA)
where:
Base-Base interactions energy: -654.424
where: short stacking energy: -264.520
Base-Backbone interact. energy: -0.912
local terms energy: -285.930284
where:
bonds (distance) C4'-P energy: -45.877
bonds (distance) P-C4' energy: -63.409
flat angles C4'-P-C4' energy: -61.844
flat angles P-C4'-P energy: -45.027
tors. eta vs tors. theta energy: -69.774
Dist. restrs. and SS energy: 6.954 (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: 23
Temperature: 1.300000
Total energy: -923.501508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.501508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.502983 (E_RNA)
where:
Base-Base interactions energy: -636.762
where: short stacking energy: -265.785
Base-Backbone interact. energy: -0.717
local terms energy: -296.023559
where:
bonds (distance) C4'-P energy: -53.514
bonds (distance) P-C4' energy: -71.540
flat angles C4'-P-C4' energy: -68.898
flat angles P-C4'-P energy: -41.031
tors. eta vs tors. theta energy: -61.041
Dist. restrs. and SS energy: 10.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -794.249854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.249854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.394355 (E_RNA)
where:
Base-Base interactions energy: -554.987
where: short stacking energy: -222.537
Base-Backbone interact. energy: -0.672
local terms energy: -246.734673
where:
bonds (distance) C4'-P energy: -60.985
bonds (distance) P-C4' energy: -46.584
flat angles C4'-P-C4' energy: -54.804
flat angles P-C4'-P energy: -29.237
tors. eta vs tors. theta energy: -55.124
Dist. restrs. and SS energy: 8.145 (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: 8
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1252.643003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.643003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.742228 (E_RNA)
where:
Base-Base interactions energy: -863.309
where: short stacking energy: -352.209
Base-Backbone interact. energy: -3.684
local terms energy: -389.749147
where:
bonds (distance) C4'-P energy: -61.997
bonds (distance) P-C4' energy: -76.027
flat angles C4'-P-C4' energy: -85.373
flat angles P-C4'-P energy: -60.475
tors. eta vs tors. theta energy: -105.878
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: 2, replica: 4
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1167.501624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.501624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.605872 (E_RNA)
where:
Base-Base interactions energy: -811.961
where: short stacking energy: -335.682
Base-Backbone interact. energy: -2.135
local terms energy: -356.510165
where:
bonds (distance) C4'-P energy: -66.536
bonds (distance) P-C4' energy: -68.651
flat angles C4'-P-C4' energy: -80.690
flat angles P-C4'-P energy: -42.221
tors. eta vs tors. theta energy: -98.413
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: 3, replica: 9
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1132.920493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.920493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.014082 (E_RNA)
where:
Base-Base interactions energy: -785.092
where: short stacking energy: -315.020
Base-Backbone interact. energy: -1.628
local terms energy: -355.294654
where:
bonds (distance) C4'-P energy: -58.870
bonds (distance) P-C4' energy: -69.950
flat angles C4'-P-C4' energy: -80.961
flat angles P-C4'-P energy: -57.979
tors. eta vs tors. theta energy: -87.535
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: 4, replica: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1074.252696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.252696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.268202 (E_RNA)
where:
Base-Base interactions energy: -759.590
where: short stacking energy: -317.814
Base-Backbone interact. energy: -2.249
local terms energy: -315.429671
where:
bonds (distance) C4'-P energy: -60.003
bonds (distance) P-C4' energy: -65.685
flat angles C4'-P-C4' energy: -63.941
flat angles P-C4'-P energy: -47.253
tors. eta vs tors. theta energy: -78.547
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: 5, replica: 7
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1049.928642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.928642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.278913 (E_RNA)
where:
Base-Base interactions energy: -727.414
where: short stacking energy: -317.538
Base-Backbone interact. energy: -1.004
local terms energy: -332.861514
where:
bonds (distance) C4'-P energy: -56.885
bonds (distance) P-C4' energy: -62.623
flat angles C4'-P-C4' energy: -68.696
flat angles P-C4'-P energy: -58.989
tors. eta vs tors. theta energy: -85.668
Dist. restrs. and SS energy: 11.350 (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: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1007.179197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.179197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.752878 (E_RNA)
where:
Base-Base interactions energy: -704.959
where: short stacking energy: -282.317
Base-Backbone interact. energy: 3.327
local terms energy: -312.120611
where:
bonds (distance) C4'-P energy: -61.264
bonds (distance) P-C4' energy: -71.684
flat angles C4'-P-C4' energy: -60.505
flat angles P-C4'-P energy: -48.396
tors. eta vs tors. theta energy: -70.272
Dist. restrs. and SS energy: 6.574 (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: 24
Temperature: 1.200000
Total energy: -977.962129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.962129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.698514 (E_RNA)
where:
Base-Base interactions energy: -670.823
where: short stacking energy: -268.665
Base-Backbone interact. energy: 2.118
local terms energy: -314.993570
where:
bonds (distance) C4'-P energy: -62.501
bonds (distance) P-C4' energy: -58.098
flat angles C4'-P-C4' energy: -70.182
flat angles P-C4'-P energy: -44.820
tors. eta vs tors. theta energy: -79.393
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: 8, replica: 1
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -973.541622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.541622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.311069 (E_RNA)
where:
Base-Base interactions energy: -669.302
where: short stacking energy: -266.970
Base-Backbone interact. energy: 1.035
local terms energy: -309.043936
where:
bonds (distance) C4'-P energy: -62.002
bonds (distance) P-C4' energy: -64.200
flat angles C4'-P-C4' energy: -63.377
flat angles P-C4'-P energy: -48.243
tors. eta vs tors. theta energy: -71.222
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: 9, replica: 2
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -910.253486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.253486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.289248 (E_RNA)
where:
Base-Base interactions energy: -642.067
where: short stacking energy: -256.571
Base-Backbone interact. energy: -0.479
local terms energy: -270.743190
where:
bonds (distance) C4'-P energy: -51.460
bonds (distance) P-C4' energy: -53.436
flat angles C4'-P-C4' energy: -64.261
flat angles P-C4'-P energy: -40.720
tors. eta vs tors. theta energy: -60.866
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: 10, replica: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -796.514953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.514953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.005539 (E_RNA)
where:
Base-Base interactions energy: -536.899
where: short stacking energy: -203.886
Base-Backbone interact. energy: 1.213
local terms energy: -273.320024
where:
bonds (distance) C4'-P energy: -60.049
bonds (distance) P-C4' energy: -69.471
flat angles C4'-P-C4' energy: -62.350
flat angles P-C4'-P energy: -25.838
tors. eta vs tors. theta energy: -55.612
Dist. restrs. and SS energy: 12.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1258.904258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.904258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.571588 (E_RNA)
where:
Base-Base interactions energy: -864.072
where: short stacking energy: -367.407
Base-Backbone interact. energy: 0.759
local terms energy: -399.258256
where:
bonds (distance) C4'-P energy: -66.550
bonds (distance) P-C4' energy: -78.351
flat angles C4'-P-C4' energy: -82.577
flat angles P-C4'-P energy: -60.195
tors. eta vs tors. theta energy: -111.586
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: 2, replica: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1188.584802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.584802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.495814 (E_RNA)
where:
Base-Base interactions energy: -817.281
where: short stacking energy: -341.997
Base-Backbone interact. energy: -3.101
local terms energy: -370.113784
where:
bonds (distance) C4'-P energy: -75.445
bonds (distance) P-C4' energy: -70.614
flat angles C4'-P-C4' energy: -75.302
flat angles P-C4'-P energy: -54.367
tors. eta vs tors. theta energy: -94.386
Dist. restrs. and SS energy: 1.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1118.427325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.427325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.769078 (E_RNA)
where:
Base-Base interactions energy: -783.414
where: short stacking energy: -318.253
Base-Backbone interact. energy: -0.288
local terms energy: -341.067670
where:
bonds (distance) C4'-P energy: -70.784
bonds (distance) P-C4' energy: -68.316
flat angles C4'-P-C4' energy: -70.612
flat angles P-C4'-P energy: -46.087
tors. eta vs tors. theta energy: -85.269
Dist. restrs. and SS energy: 6.342 (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: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1128.745214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.745214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.289587 (E_RNA)
where:
Base-Base interactions energy: -786.112
where: short stacking energy: -336.099
Base-Backbone interact. energy: -0.475
local terms energy: -345.702005
where:
bonds (distance) C4'-P energy: -55.977
bonds (distance) P-C4' energy: -69.154
flat angles C4'-P-C4' energy: -82.414
flat angles P-C4'-P energy: -46.647
tors. eta vs tors. theta energy: -91.510
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: 5, replica: 7
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1073.145661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.145661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.170787 (E_RNA)
where:
Base-Base interactions energy: -759.622
where: short stacking energy: -312.933
Base-Backbone interact. energy: -2.399
local terms energy: -317.149119
where:
bonds (distance) C4'-P energy: -59.955
bonds (distance) P-C4' energy: -55.772
flat angles C4'-P-C4' energy: -74.068
flat angles P-C4'-P energy: -49.099
tors. eta vs tors. theta energy: -78.255
Dist. restrs. and SS energy: 6.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1048.436462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.436462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.840283 (E_RNA)
where:
Base-Base interactions energy: -746.337
where: short stacking energy: -293.490
Base-Backbone interact. energy: 0.112
local terms energy: -308.615204
where:
bonds (distance) C4'-P energy: -51.952
bonds (distance) P-C4' energy: -64.409
flat angles C4'-P-C4' energy: -68.812
flat angles P-C4'-P energy: -46.602
tors. eta vs tors. theta energy: -76.839
Dist. restrs. and SS energy: 6.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -975.700345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.700345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.286333 (E_RNA)
where:
Base-Base interactions energy: -679.780
where: short stacking energy: -271.168
Base-Backbone interact. energy: -0.545
local terms energy: -298.961213
where:
bonds (distance) C4'-P energy: -63.282
bonds (distance) P-C4' energy: -56.135
flat angles C4'-P-C4' energy: -64.833
flat angles P-C4'-P energy: -42.101
tors. eta vs tors. theta energy: -72.612
Dist. restrs. and SS energy: 3.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -948.878037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.878037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.937974 (E_RNA)
where:
Base-Base interactions energy: -664.381
where: short stacking energy: -267.659
Base-Backbone interact. energy: 0.964
local terms energy: -289.520562
where:
bonds (distance) C4'-P energy: -54.216
bonds (distance) P-C4' energy: -65.526
flat angles C4'-P-C4' energy: -58.278
flat angles P-C4'-P energy: -42.137
tors. eta vs tors. theta energy: -69.364
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: 9, replica: 1
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -918.127442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.127442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.821911 (E_RNA)
where:
Base-Base interactions energy: -644.000
where: short stacking energy: -248.308
Base-Backbone interact. energy: -0.907
local terms energy: -278.915135
where:
bonds (distance) C4'-P energy: -55.464
bonds (distance) P-C4' energy: -58.668
flat angles C4'-P-C4' energy: -65.124
flat angles P-C4'-P energy: -38.872
tors. eta vs tors. theta energy: -60.787
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: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -811.523318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.523318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.768061 (E_RNA)
where:
Base-Base interactions energy: -559.984
where: short stacking energy: -215.593
Base-Backbone interact. energy: 1.273
local terms energy: -271.057423
where:
bonds (distance) C4'-P energy: -62.104
bonds (distance) P-C4' energy: -64.357
flat angles C4'-P-C4' energy: -54.468
flat angles P-C4'-P energy: -36.605
tors. eta vs tors. theta energy: -53.523
Dist. restrs. and SS energy: 18.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1255.258115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.258115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.451320 (E_RNA)
where:
Base-Base interactions energy: -859.811
where: short stacking energy: -376.565
Base-Backbone interact. energy: -1.799
local terms energy: -396.840660
where:
bonds (distance) C4'-P energy: -75.826
bonds (distance) P-C4' energy: -76.753
flat angles C4'-P-C4' energy: -79.729
flat angles P-C4'-P energy: -50.878
tors. eta vs tors. theta energy: -113.656
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: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1196.536861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.536861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.660320 (E_RNA)
where:
Base-Base interactions energy: -820.953
where: short stacking energy: -360.141
Base-Backbone interact. energy: -1.776
local terms energy: -375.931595
where:
bonds (distance) C4'-P energy: -71.205
bonds (distance) P-C4' energy: -71.114
flat angles C4'-P-C4' energy: -76.523
flat angles P-C4'-P energy: -51.964
tors. eta vs tors. theta energy: -105.125
Dist. restrs. and SS energy: 2.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1119.256100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.256100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.070784 (E_RNA)
where:
Base-Base interactions energy: -791.270
where: short stacking energy: -329.312
Base-Backbone interact. energy: -1.680
local terms energy: -330.120658
where:
bonds (distance) C4'-P energy: -60.545
bonds (distance) P-C4' energy: -70.589
flat angles C4'-P-C4' energy: -62.495
flat angles P-C4'-P energy: -48.062
tors. eta vs tors. theta energy: -88.430
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: 4, replica: 9
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1122.618727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.618727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.979043 (E_RNA)
where:
Base-Base interactions energy: -796.428
where: short stacking energy: -326.475
Base-Backbone interact. energy: -1.896
local terms energy: -331.654530
where:
bonds (distance) C4'-P energy: -65.913
bonds (distance) P-C4' energy: -65.799
flat angles C4'-P-C4' energy: -61.949
flat angles P-C4'-P energy: -49.754
tors. eta vs tors. theta energy: -88.239
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: 5, replica: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1049.481272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.481272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.526370 (E_RNA)
where:
Base-Base interactions energy: -739.643
where: short stacking energy: -304.951
Base-Backbone interact. energy: -1.781
local terms energy: -316.102980
where:
bonds (distance) C4'-P energy: -53.847
bonds (distance) P-C4' energy: -62.914
flat angles C4'-P-C4' energy: -80.042
flat angles P-C4'-P energy: -36.936
tors. eta vs tors. theta energy: -82.363
Dist. restrs. and SS energy: 8.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1032.991199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.991199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.742271 (E_RNA)
where:
Base-Base interactions energy: -732.357
where: short stacking energy: -283.504
Base-Backbone interact. energy: -0.910
local terms energy: -303.476144
where:
bonds (distance) C4'-P energy: -57.983
bonds (distance) P-C4' energy: -50.815
flat angles C4'-P-C4' energy: -76.241
flat angles P-C4'-P energy: -47.118
tors. eta vs tors. theta energy: -71.319
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: 7, replica: 2
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -968.520126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.520126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.120602 (E_RNA)
where:
Base-Base interactions energy: -694.224
where: short stacking energy: -258.028
Base-Backbone interact. energy: -1.998
local terms energy: -276.898468
where:
bonds (distance) C4'-P energy: -53.147
bonds (distance) P-C4' energy: -70.163
flat angles C4'-P-C4' energy: -60.485
flat angles P-C4'-P energy: -39.490
tors. eta vs tors. theta energy: -53.613
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: 5
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -951.643642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.643642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.470271 (E_RNA)
where:
Base-Base interactions energy: -683.000
where: short stacking energy: -256.495
Base-Backbone interact. energy: -1.139
local terms energy: -271.331543
where:
bonds (distance) C4'-P energy: -60.591
bonds (distance) P-C4' energy: -69.380
flat angles C4'-P-C4' energy: -50.780
flat angles P-C4'-P energy: -27.017
tors. eta vs tors. theta energy: -63.564
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: 9, replica: 1
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -903.966676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.966676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.948612 (E_RNA)
where:
Base-Base interactions energy: -627.488
where: short stacking energy: -246.137
Base-Backbone interact. energy: 0.198
local terms energy: -281.658691
where:
bonds (distance) C4'-P energy: -58.414
bonds (distance) P-C4' energy: -48.885
flat angles C4'-P-C4' energy: -68.100
flat angles P-C4'-P energy: -51.121
tors. eta vs tors. theta energy: -55.139
Dist. restrs. and SS energy: 4.982 (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: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -815.743076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.743076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.526612 (E_RNA)
where:
Base-Base interactions energy: -578.509
where: short stacking energy: -213.487
Base-Backbone interact. energy: -1.216
local terms energy: -246.801930
where:
bonds (distance) C4'-P energy: -48.532
bonds (distance) P-C4' energy: -65.808
flat angles C4'-P-C4' energy: -61.747
flat angles P-C4'-P energy: -28.719
tors. eta vs tors. theta energy: -41.995
Dist. restrs. and SS energy: 10.784 (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: 8
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1252.667373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.667373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.276562 (E_RNA)
where:
Base-Base interactions energy: -870.773
where: short stacking energy: -378.416
Base-Backbone interact. energy: -1.763
local terms energy: -383.740846
where:
bonds (distance) C4'-P energy: -63.938
bonds (distance) P-C4' energy: -58.051
flat angles C4'-P-C4' energy: -83.725
flat angles P-C4'-P energy: -60.480
tors. eta vs tors. theta energy: -117.547
Dist. restrs. and SS energy: 3.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1208.007802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.007802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.686571 (E_RNA)
where:
Base-Base interactions energy: -858.246
where: short stacking energy: -347.066
Base-Backbone interact. energy: -0.530
local terms energy: -352.910950
where:
bonds (distance) C4'-P energy: -66.505
bonds (distance) P-C4' energy: -66.171
flat angles C4'-P-C4' energy: -68.920
flat angles P-C4'-P energy: -50.565
tors. eta vs tors. theta energy: -100.750
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: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1098.360134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.360134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.170208 (E_RNA)
where:
Base-Base interactions energy: -749.122
where: short stacking energy: -309.506
Base-Backbone interact. energy: -0.518
local terms energy: -351.530148
where:
bonds (distance) C4'-P energy: -77.228
bonds (distance) P-C4' energy: -67.629
flat angles C4'-P-C4' energy: -80.228
flat angles P-C4'-P energy: -41.880
tors. eta vs tors. theta energy: -84.564
Dist. restrs. and SS energy: 2.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1090.781224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.781224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.317330 (E_RNA)
where:
Base-Base interactions energy: -769.623
where: short stacking energy: -298.869
Base-Backbone interact. energy: -3.276
local terms energy: -324.417823
where:
bonds (distance) C4'-P energy: -66.892
bonds (distance) P-C4' energy: -62.999
flat angles C4'-P-C4' energy: -69.848
flat angles P-C4'-P energy: -50.332
tors. eta vs tors. theta energy: -74.347
Dist. restrs. and SS energy: 6.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1044.359513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.359513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.462131 (E_RNA)
where:
Base-Base interactions energy: -739.509
where: short stacking energy: -291.962
Base-Backbone interact. energy: -1.335
local terms energy: -307.618547
where:
bonds (distance) C4'-P energy: -71.107
bonds (distance) P-C4' energy: -50.792
flat angles C4'-P-C4' energy: -71.573
flat angles P-C4'-P energy: -40.020
tors. eta vs tors. theta energy: -74.127
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: 6, replica: 2
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1056.707718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.707718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.974058 (E_RNA)
where:
Base-Base interactions energy: -752.826
where: short stacking energy: -300.168
Base-Backbone interact. energy: -0.120
local terms energy: -308.028440
where:
bonds (distance) C4'-P energy: -57.564
bonds (distance) P-C4' energy: -56.585
flat angles C4'-P-C4' energy: -71.795
flat angles P-C4'-P energy: -46.090
tors. eta vs tors. theta energy: -75.995
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: 10
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -961.538666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.538666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.596829 (E_RNA)
where:
Base-Base interactions energy: -681.049
where: short stacking energy: -267.688
Base-Backbone interact. energy: -1.783
local terms energy: -280.765544
where:
bonds (distance) C4'-P energy: -50.124
bonds (distance) P-C4' energy: -50.265
flat angles C4'-P-C4' energy: -64.480
flat angles P-C4'-P energy: -36.917
tors. eta vs tors. theta energy: -78.979
Dist. restrs. and SS energy: 2.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -951.277626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.277626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.390115 (E_RNA)
where:
Base-Base interactions energy: -667.259
where: short stacking energy: -266.929
Base-Backbone interact. energy: 2.172
local terms energy: -290.302685
where:
bonds (distance) C4'-P energy: -45.844
bonds (distance) P-C4' energy: -63.464
flat angles C4'-P-C4' energy: -71.111
flat angles P-C4'-P energy: -45.038
tors. eta vs tors. theta energy: -64.846
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: 9, replica: 1
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -908.574419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.574419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.401168 (E_RNA)
where:
Base-Base interactions energy: -632.969
where: short stacking energy: -261.528
Base-Backbone interact. energy: -1.091
local terms energy: -279.340817
where:
bonds (distance) C4'-P energy: -42.965
bonds (distance) P-C4' energy: -64.277
flat angles C4'-P-C4' energy: -66.594
flat angles P-C4'-P energy: -44.982
tors. eta vs tors. theta energy: -60.522
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: 10, replica: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -783.085355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.085355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.436234 (E_RNA)
where:
Base-Base interactions energy: -549.857
where: short stacking energy: -218.396
Base-Backbone interact. energy: 0.006
local terms energy: -246.584316
where:
bonds (distance) C4'-P energy: -48.087
bonds (distance) P-C4' energy: -71.460
flat angles C4'-P-C4' energy: -54.160
flat angles P-C4'-P energy: -29.050
tors. eta vs tors. theta energy: -43.827
Dist. restrs. and SS energy: 13.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1235.753525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.753525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.407033 (E_RNA)
where:
Base-Base interactions energy: -864.314
where: short stacking energy: -369.977
Base-Backbone interact. energy: 6.190
local terms energy: -381.282912
where:
bonds (distance) C4'-P energy: -67.196
bonds (distance) P-C4' energy: -80.484
flat angles C4'-P-C4' energy: -68.537
flat angles P-C4'-P energy: -53.993
tors. eta vs tors. theta energy: -111.073
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: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1190.712751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.712751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.593608 (E_RNA)
where:
Base-Base interactions energy: -827.393
where: short stacking energy: -342.491
Base-Backbone interact. energy: 1.444
local terms energy: -367.645065
where:
bonds (distance) C4'-P energy: -68.896
bonds (distance) P-C4' energy: -67.635
flat angles C4'-P-C4' energy: -75.855
flat angles P-C4'-P energy: -57.590
tors. eta vs tors. theta energy: -97.669
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: 28
Temperature: 1.000000
Total energy: -1124.778228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.778228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.373134 (E_RNA)
where:
Base-Base interactions energy: -776.984
where: short stacking energy: -322.768
Base-Backbone interact. energy: 0.998
local terms energy: -353.386805
where:
bonds (distance) C4'-P energy: -69.650
bonds (distance) P-C4' energy: -72.412
flat angles C4'-P-C4' energy: -79.611
flat angles P-C4'-P energy: -47.679
tors. eta vs tors. theta energy: -84.035
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: 4, replica: 9
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1090.891365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.891365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.473346 (E_RNA)
where:
Base-Base interactions energy: -768.694
where: short stacking energy: -317.593
Base-Backbone interact. energy: -1.920
local terms energy: -329.860232
where:
bonds (distance) C4'-P energy: -60.241
bonds (distance) P-C4' energy: -67.289
flat angles C4'-P-C4' energy: -69.868
flat angles P-C4'-P energy: -39.455
tors. eta vs tors. theta energy: -93.008
Dist. restrs. and SS energy: 9.582 (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: 7
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1062.917512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.917512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.234688 (E_RNA)
where:
Base-Base interactions energy: -751.432
where: short stacking energy: -296.885
Base-Backbone interact. energy: -1.258
local terms energy: -313.544624
where:
bonds (distance) C4'-P energy: -60.009
bonds (distance) P-C4' energy: -56.084
flat angles C4'-P-C4' energy: -71.684
flat angles P-C4'-P energy: -48.898
tors. eta vs tors. theta energy: -76.869
Dist. restrs. and SS energy: 3.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1035.120262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.120262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.300963 (E_RNA)
where:
Base-Base interactions energy: -734.840
where: short stacking energy: -276.958
Base-Backbone interact. energy: -1.802
local terms energy: -303.659059
where:
bonds (distance) C4'-P energy: -58.891
bonds (distance) P-C4' energy: -63.083
flat angles C4'-P-C4' energy: -60.835
flat angles P-C4'-P energy: -51.660
tors. eta vs tors. theta energy: -69.191
Dist. restrs. and SS energy: 5.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -952.423467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.423467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.100314 (E_RNA)
where:
Base-Base interactions energy: -669.138
where: short stacking energy: -263.747
Base-Backbone interact. energy: -3.114
local terms energy: -283.848901
where:
bonds (distance) C4'-P energy: -57.111
bonds (distance) P-C4' energy: -57.984
flat angles C4'-P-C4' energy: -65.940
flat angles P-C4'-P energy: -39.692
tors. eta vs tors. theta energy: -63.122
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: 8, replica: 5
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -952.317011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.317011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.117260 (E_RNA)
where:
Base-Base interactions energy: -669.509
where: short stacking energy: -253.323
Base-Backbone interact. energy: -0.794
local terms energy: -284.813444
where:
bonds (distance) C4'-P energy: -56.691
bonds (distance) P-C4' energy: -64.472
flat angles C4'-P-C4' energy: -68.941
flat angles P-C4'-P energy: -26.005
tors. eta vs tors. theta energy: -68.704
Dist. restrs. and SS energy: 2.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -896.347530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.347530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.727263 (E_RNA)
where:
Base-Base interactions energy: -632.059
where: short stacking energy: -257.905
Base-Backbone interact. energy: -1.587
local terms energy: -267.081676
where:
bonds (distance) C4'-P energy: -62.550
bonds (distance) P-C4' energy: -46.509
flat angles C4'-P-C4' energy: -67.527
flat angles P-C4'-P energy: -29.513
tors. eta vs tors. theta energy: -60.982
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: 10, replica: 6
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -773.105256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.105256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.825278 (E_RNA)
where:
Base-Base interactions energy: -531.013
where: short stacking energy: -206.958
Base-Backbone interact. energy: 0.176
local terms energy: -255.988237
where:
bonds (distance) C4'-P energy: -59.361
bonds (distance) P-C4' energy: -58.551
flat angles C4'-P-C4' energy: -53.735
flat angles P-C4'-P energy: -40.570
tors. eta vs tors. theta energy: -43.771
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: 8
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1239.722031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.722031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.431188 (E_RNA)
where:
Base-Base interactions energy: -869.706
where: short stacking energy: -362.542
Base-Backbone interact. energy: -0.457
local terms energy: -373.268066
where:
bonds (distance) C4'-P energy: -62.619
bonds (distance) P-C4' energy: -72.580
flat angles C4'-P-C4' energy: -77.840
flat angles P-C4'-P energy: -53.290
tors. eta vs tors. theta energy: -106.938
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: 2, replica: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1179.552056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.552056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.684008 (E_RNA)
where:
Base-Base interactions energy: -822.756
where: short stacking energy: -337.865
Base-Backbone interact. energy: -3.125
local terms energy: -357.803832
where:
bonds (distance) C4'-P energy: -61.336
bonds (distance) P-C4' energy: -73.495
flat angles C4'-P-C4' energy: -70.367
flat angles P-C4'-P energy: -52.729
tors. eta vs tors. theta energy: -99.877
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: 3, replica: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1140.681187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.681187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.513102 (E_RNA)
where:
Base-Base interactions energy: -787.736
where: short stacking energy: -325.823
Base-Backbone interact. energy: 1.853
local terms energy: -358.630583
where:
bonds (distance) C4'-P energy: -67.809
bonds (distance) P-C4' energy: -70.712
flat angles C4'-P-C4' energy: -76.548
flat angles P-C4'-P energy: -59.078
tors. eta vs tors. theta energy: -84.485
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: 9
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1088.806014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.806014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.136002 (E_RNA)
where:
Base-Base interactions energy: -755.007
where: short stacking energy: -314.324
Base-Backbone interact. energy: 1.556
local terms energy: -341.684417
where:
bonds (distance) C4'-P energy: -69.612
bonds (distance) P-C4' energy: -70.571
flat angles C4'-P-C4' energy: -66.009
flat angles P-C4'-P energy: -50.152
tors. eta vs tors. theta energy: -85.340
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: 5, replica: 7
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1067.479933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.479933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.211820 (E_RNA)
where:
Base-Base interactions energy: -755.914
where: short stacking energy: -304.889
Base-Backbone interact. energy: -1.401
local terms energy: -313.896733
where:
bonds (distance) C4'-P energy: -59.785
bonds (distance) P-C4' energy: -55.569
flat angles C4'-P-C4' energy: -67.131
flat angles P-C4'-P energy: -53.350
tors. eta vs tors. theta energy: -78.062
Dist. restrs. and SS energy: 3.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -971.773438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.773438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.966687 (E_RNA)
where:
Base-Base interactions energy: -691.233
where: short stacking energy: -280.393
Base-Backbone interact. energy: 1.888
local terms energy: -287.621781
where:
bonds (distance) C4'-P energy: -46.798
bonds (distance) P-C4' energy: -63.426
flat angles C4'-P-C4' energy: -63.431
flat angles P-C4'-P energy: -46.344
tors. eta vs tors. theta energy: -67.623
Dist. restrs. and SS energy: 5.193 (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: 2
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -954.520327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.520327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.853180 (E_RNA)
where:
Base-Base interactions energy: -667.151
where: short stacking energy: -240.575
Base-Backbone interact. energy: 1.120
local terms energy: -291.822257
where:
bonds (distance) C4'-P energy: -61.352
bonds (distance) P-C4' energy: -57.968
flat angles C4'-P-C4' energy: -65.825
flat angles P-C4'-P energy: -45.265
tors. eta vs tors. theta energy: -61.413
Dist. restrs. and SS energy: 3.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -993.916401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.916401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.185233 (E_RNA)
where:
Base-Base interactions energy: -695.578
where: short stacking energy: -278.394
Base-Backbone interact. energy: -2.433
local terms energy: -300.174409
where:
bonds (distance) C4'-P energy: -56.390
bonds (distance) P-C4' energy: -63.970
flat angles C4'-P-C4' energy: -74.141
flat angles P-C4'-P energy: -47.430
tors. eta vs tors. theta energy: -58.243
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: 9, replica: 1
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -885.769782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.769782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.016570 (E_RNA)
where:
Base-Base interactions energy: -608.893
where: short stacking energy: -239.802
Base-Backbone interact. energy: -0.694
local terms energy: -284.429506
where:
bonds (distance) C4'-P energy: -67.529
bonds (distance) P-C4' energy: -56.148
flat angles C4'-P-C4' energy: -66.390
flat angles P-C4'-P energy: -44.127
tors. eta vs tors. theta energy: -50.235
Dist. restrs. and SS energy: 8.247 (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: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -769.951538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.951538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.684611 (E_RNA)
where:
Base-Base interactions energy: -526.317
where: short stacking energy: -212.456
Base-Backbone interact. energy: 1.538
local terms energy: -264.905143
where:
bonds (distance) C4'-P energy: -55.467
bonds (distance) P-C4' energy: -55.821
flat angles C4'-P-C4' energy: -58.575
flat angles P-C4'-P energy: -47.116
tors. eta vs tors. theta energy: -47.926
Dist. restrs. and SS energy: 19.733 (S_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: -1257.178513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.178513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.384129 (E_RNA)
where:
Base-Base interactions energy: -891.133
where: short stacking energy: -377.807
Base-Backbone interact. energy: 1.990
local terms energy: -371.240842
where:
bonds (distance) C4'-P energy: -71.200
bonds (distance) P-C4' energy: -64.409
flat angles C4'-P-C4' energy: -79.949
flat angles P-C4'-P energy: -51.320
tors. eta vs tors. theta energy: -104.362
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: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1203.491038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.491038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.117716 (E_RNA)
where:
Base-Base interactions energy: -838.110
where: short stacking energy: -350.765
Base-Backbone interact. energy: -1.901
local terms energy: -367.106645
where:
bonds (distance) C4'-P energy: -63.683
bonds (distance) P-C4' energy: -71.645
flat angles C4'-P-C4' energy: -82.909
flat angles P-C4'-P energy: -49.576
tors. eta vs tors. theta energy: -99.293
Dist. restrs. and SS energy: 3.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1143.686788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.686788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.859354 (E_RNA)
where:
Base-Base interactions energy: -810.091
where: short stacking energy: -329.216
Base-Backbone interact. energy: -2.502
local terms energy: -336.266501
where:
bonds (distance) C4'-P energy: -66.995
bonds (distance) P-C4' energy: -58.886
flat angles C4'-P-C4' energy: -71.017
flat angles P-C4'-P energy: -49.698
tors. eta vs tors. theta energy: -89.670
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: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1093.980424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.980424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.395362 (E_RNA)
where:
Base-Base interactions energy: -756.604
where: short stacking energy: -303.006
Base-Backbone interact. energy: -1.169
local terms energy: -340.621950
where:
bonds (distance) C4'-P energy: -67.501
bonds (distance) P-C4' energy: -59.618
flat angles C4'-P-C4' energy: -75.295
flat angles P-C4'-P energy: -49.084
tors. eta vs tors. theta energy: -89.125
Dist. restrs. and SS energy: 4.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1068.353232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.353232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.921043 (E_RNA)
where:
Base-Base interactions energy: -763.052
where: short stacking energy: -315.819
Base-Backbone interact. energy: -2.381
local terms energy: -308.488827
where:
bonds (distance) C4'-P energy: -52.406
bonds (distance) P-C4' energy: -60.455
flat angles C4'-P-C4' energy: -62.812
flat angles P-C4'-P energy: -48.477
tors. eta vs tors. theta energy: -84.338
Dist. restrs. and SS energy: 5.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -967.754559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.754559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.084731 (E_RNA)
where:
Base-Base interactions energy: -669.809
where: short stacking energy: -278.662
Base-Backbone interact. energy: 1.797
local terms energy: -303.071970
where:
bonds (distance) C4'-P energy: -56.574
bonds (distance) P-C4' energy: -67.685
flat angles C4'-P-C4' energy: -69.664
flat angles P-C4'-P energy: -46.830
tors. eta vs tors. theta energy: -62.319
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: 7, replica: 5
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1035.127759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.127759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.757245 (E_RNA)
where:
Base-Base interactions energy: -723.742
where: short stacking energy: -300.564
Base-Backbone interact. energy: -1.361
local terms energy: -311.654379
where:
bonds (distance) C4'-P energy: -55.619
bonds (distance) P-C4' energy: -53.485
flat angles C4'-P-C4' energy: -70.944
flat angles P-C4'-P energy: -48.128
tors. eta vs tors. theta energy: -83.478
Dist. restrs. and SS energy: 1.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -938.892684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.892684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.598102 (E_RNA)
where:
Base-Base interactions energy: -661.424
where: short stacking energy: -253.649
Base-Backbone interact. energy: -0.747
local terms energy: -279.427097
where:
bonds (distance) C4'-P energy: -48.931
bonds (distance) P-C4' energy: -55.894
flat angles C4'-P-C4' energy: -61.498
flat angles P-C4'-P energy: -47.427
tors. eta vs tors. theta energy: -65.677
Dist. restrs. and SS energy: 2.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -926.248703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.248703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.007512 (E_RNA)
where:
Base-Base interactions energy: -645.297
where: short stacking energy: -270.237
Base-Backbone interact. energy: -0.588
local terms energy: -283.123273
where:
bonds (distance) C4'-P energy: -60.331
bonds (distance) P-C4' energy: -60.904
flat angles C4'-P-C4' energy: -56.147
flat angles P-C4'-P energy: -38.071
tors. eta vs tors. theta energy: -67.670
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: 10, replica: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -759.833342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.833342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.715412 (E_RNA)
where:
Base-Base interactions energy: -526.184
where: short stacking energy: -188.362
Base-Backbone interact. energy: 2.921
local terms energy: -256.452810
where:
bonds (distance) C4'-P energy: -58.787
bonds (distance) P-C4' energy: -59.280
flat angles C4'-P-C4' energy: -46.942
flat angles P-C4'-P energy: -48.099
tors. eta vs tors. theta energy: -43.346
Dist. restrs. and SS energy: 19.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1241.042389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.042389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.902550 (E_RNA)
where:
Base-Base interactions energy: -865.597
where: short stacking energy: -372.803
Base-Backbone interact. energy: 2.626
local terms energy: -381.932032
where:
bonds (distance) C4'-P energy: -68.036
bonds (distance) P-C4' energy: -75.037
flat angles C4'-P-C4' energy: -77.246
flat angles P-C4'-P energy: -53.592
tors. eta vs tors. theta energy: -108.021
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: 2, replica: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1173.039180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.039180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.481550 (E_RNA)
where:
Base-Base interactions energy: -796.088
where: short stacking energy: -343.255
Base-Backbone interact. energy: -3.530
local terms energy: -376.863552
where:
bonds (distance) C4'-P energy: -66.660
bonds (distance) P-C4' energy: -71.728
flat angles C4'-P-C4' energy: -77.952
flat angles P-C4'-P energy: -60.900
tors. eta vs tors. theta energy: -99.623
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: 3, replica: 9
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1173.040590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.040590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.712812 (E_RNA)
where:
Base-Base interactions energy: -814.964
where: short stacking energy: -340.079
Base-Backbone interact. energy: -1.811
local terms energy: -361.938126
where:
bonds (distance) C4'-P energy: -65.234
bonds (distance) P-C4' energy: -69.076
flat angles C4'-P-C4' energy: -78.353
flat angles P-C4'-P energy: -52.531
tors. eta vs tors. theta energy: -96.744
Dist. restrs. and SS energy: 5.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1084.161215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.161215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.689474 (E_RNA)
where:
Base-Base interactions energy: -750.415
where: short stacking energy: -308.255
Base-Backbone interact. energy: -2.281
local terms energy: -334.993544
where:
bonds (distance) C4'-P energy: -59.615
bonds (distance) P-C4' energy: -66.104
flat angles C4'-P-C4' energy: -75.026
flat angles P-C4'-P energy: -49.208
tors. eta vs tors. theta energy: -85.041
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: 5, replica: 3
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1060.974729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.974729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.844473 (E_RNA)
where:
Base-Base interactions energy: -725.523
where: short stacking energy: -287.316
Base-Backbone interact. energy: -3.907
local terms energy: -336.415221
where:
bonds (distance) C4'-P energy: -65.921
bonds (distance) P-C4' energy: -70.535
flat angles C4'-P-C4' energy: -76.498
flat angles P-C4'-P energy: -42.876
tors. eta vs tors. theta energy: -80.586
Dist. restrs. and SS energy: 4.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1037.216118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.216118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.458615 (E_RNA)
where:
Base-Base interactions energy: -732.895
where: short stacking energy: -290.394
Base-Backbone interact. energy: 3.030
local terms energy: -311.593358
where:
bonds (distance) C4'-P energy: -68.276
bonds (distance) P-C4' energy: -62.741
flat angles C4'-P-C4' energy: -61.236
flat angles P-C4'-P energy: -38.357
tors. eta vs tors. theta energy: -80.983
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: 7, replica: 10
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -938.459358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.459358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.964677 (E_RNA)
where:
Base-Base interactions energy: -667.370
where: short stacking energy: -270.380
Base-Backbone interact. energy: 0.126
local terms energy: -275.720139
where:
bonds (distance) C4'-P energy: -52.074
bonds (distance) P-C4' energy: -62.455
flat angles C4'-P-C4' energy: -56.858
flat angles P-C4'-P energy: -40.151
tors. eta vs tors. theta energy: -64.181
Dist. restrs. and SS energy: 4.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -917.922340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.922340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.912003 (E_RNA)
where:
Base-Base interactions energy: -628.325
where: short stacking energy: -245.981
Base-Backbone interact. energy: 0.559
local terms energy: -295.145749
where:
bonds (distance) C4'-P energy: -65.961
bonds (distance) P-C4' energy: -53.716
flat angles C4'-P-C4' energy: -67.094
flat angles P-C4'-P energy: -48.598
tors. eta vs tors. theta energy: -59.776
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: 9, replica: 2
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -889.366349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.366349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.346907 (E_RNA)
where:
Base-Base interactions energy: -641.851
where: short stacking energy: -241.793
Base-Backbone interact. energy: -0.856
local terms energy: -249.639502
where:
bonds (distance) C4'-P energy: -58.212
bonds (distance) P-C4' energy: -42.543
flat angles C4'-P-C4' energy: -59.441
flat angles P-C4'-P energy: -43.542
tors. eta vs tors. theta energy: -45.902
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: 10, replica: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -769.205895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.205895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.752910 (E_RNA)
where:
Base-Base interactions energy: -558.097
where: short stacking energy: -231.967
Base-Backbone interact. energy: -1.236
local terms energy: -229.419741
where:
bonds (distance) C4'-P energy: -50.275
bonds (distance) P-C4' energy: -46.574
flat angles C4'-P-C4' energy: -54.769
flat angles P-C4'-P energy: -28.162
tors. eta vs tors. theta energy: -49.640
Dist. restrs. and SS energy: 19.547 (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: 8
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1239.749775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.749775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.249615 (E_RNA)
where:
Base-Base interactions energy: -859.918
where: short stacking energy: -355.907
Base-Backbone interact. energy: -0.761
local terms energy: -383.571079
where:
bonds (distance) C4'-P energy: -69.676
bonds (distance) P-C4' energy: -71.502
flat angles C4'-P-C4' energy: -86.635
flat angles P-C4'-P energy: -57.031
tors. eta vs tors. theta energy: -98.727
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: 2, replica: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1157.117947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.117947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.719563 (E_RNA)
where:
Base-Base interactions energy: -809.479
where: short stacking energy: -323.826
Base-Backbone interact. energy: -1.407
local terms energy: -349.834148
where:
bonds (distance) C4'-P energy: -72.487
bonds (distance) P-C4' energy: -71.162
flat angles C4'-P-C4' energy: -72.338
flat angles P-C4'-P energy: -47.210
tors. eta vs tors. theta energy: -86.636
Dist. restrs. and SS energy: 3.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1139.745662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.745662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.616682 (E_RNA)
where:
Base-Base interactions energy: -798.427
where: short stacking energy: -321.680
Base-Backbone interact. energy: -1.853
local terms energy: -345.337352
where:
bonds (distance) C4'-P energy: -62.935
bonds (distance) P-C4' energy: -71.688
flat angles C4'-P-C4' energy: -76.624
flat angles P-C4'-P energy: -50.031
tors. eta vs tors. theta energy: -84.058
Dist. restrs. and SS energy: 5.871 (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: 7
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1075.828537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.828537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.010024 (E_RNA)
where:
Base-Base interactions energy: -748.869
where: short stacking energy: -298.319
Base-Backbone interact. energy: -0.220
local terms energy: -329.920587
where:
bonds (distance) C4'-P energy: -58.706
bonds (distance) P-C4' energy: -66.227
flat angles C4'-P-C4' energy: -76.645
flat angles P-C4'-P energy: -48.595
tors. eta vs tors. theta energy: -79.747
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: 5, replica: 3
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1057.907125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.907125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.983675 (E_RNA)
where:
Base-Base interactions energy: -723.594
where: short stacking energy: -317.450
Base-Backbone interact. energy: -0.930
local terms energy: -337.459222
where:
bonds (distance) C4'-P energy: -60.929
bonds (distance) P-C4' energy: -64.212
flat angles C4'-P-C4' energy: -74.312
flat angles P-C4'-P energy: -53.590
tors. eta vs tors. theta energy: -84.416
Dist. restrs. and SS energy: 4.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1050.773353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.773353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.111094 (E_RNA)
where:
Base-Base interactions energy: -735.648
where: short stacking energy: -283.662
Base-Backbone interact. energy: 0.448
local terms energy: -318.911469
where:
bonds (distance) C4'-P energy: -48.085
bonds (distance) P-C4' energy: -64.398
flat angles C4'-P-C4' energy: -71.218
flat angles P-C4'-P energy: -49.678
tors. eta vs tors. theta energy: -85.533
Dist. restrs. and SS energy: 3.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -969.978208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.978208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.351733 (E_RNA)
where:
Base-Base interactions energy: -668.157
where: short stacking energy: -272.057
Base-Backbone interact. energy: 1.531
local terms energy: -306.725986
where:
bonds (distance) C4'-P energy: -61.451
bonds (distance) P-C4' energy: -63.046
flat angles C4'-P-C4' energy: -68.049
flat angles P-C4'-P energy: -51.532
tors. eta vs tors. theta energy: -62.649
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: 1
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -922.427507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.427507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.963960 (E_RNA)
where:
Base-Base interactions energy: -666.458
where: short stacking energy: -268.545
Base-Backbone interact. energy: -0.120
local terms energy: -260.385868
where:
bonds (distance) C4'-P energy: -46.245
bonds (distance) P-C4' energy: -43.926
flat angles C4'-P-C4' energy: -66.909
flat angles P-C4'-P energy: -45.534
tors. eta vs tors. theta energy: -57.772
Dist. restrs. and SS energy: 4.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -924.743933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.743933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.840415 (E_RNA)
where:
Base-Base interactions energy: -661.742
where: short stacking energy: -247.728
Base-Backbone interact. energy: 7.305
local terms energy: -277.403365
where:
bonds (distance) C4'-P energy: -60.932
bonds (distance) P-C4' energy: -54.349
flat angles C4'-P-C4' energy: -56.782
flat angles P-C4'-P energy: -45.947
tors. eta vs tors. theta energy: -59.395
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: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -809.012938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.012938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.946337 (E_RNA)
where:
Base-Base interactions energy: -573.072
where: short stacking energy: -220.783
Base-Backbone interact. energy: -0.815
local terms energy: -246.058641
where:
bonds (distance) C4'-P energy: -46.485
bonds (distance) P-C4' energy: -54.642
flat angles C4'-P-C4' energy: -56.664
flat angles P-C4'-P energy: -37.484
tors. eta vs tors. theta energy: -50.784
Dist. restrs. and SS energy: 10.933 (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: 8
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1238.354708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.354708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.396980 (E_RNA)
where:
Base-Base interactions energy: -875.871
where: short stacking energy: -360.879
Base-Backbone interact. energy: -1.502
local terms energy: -364.024129
where:
bonds (distance) C4'-P energy: -66.223
bonds (distance) P-C4' energy: -60.681
flat angles C4'-P-C4' energy: -74.232
flat angles P-C4'-P energy: -58.715
tors. eta vs tors. theta energy: -104.173
Dist. restrs. and SS energy: 3.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1173.248759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.248759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.384594 (E_RNA)
where:
Base-Base interactions energy: -823.485
where: short stacking energy: -342.060
Base-Backbone interact. energy: -3.770
local terms energy: -349.129703
where:
bonds (distance) C4'-P energy: -58.294
bonds (distance) P-C4' energy: -60.656
flat angles C4'-P-C4' energy: -86.561
flat angles P-C4'-P energy: -51.513
tors. eta vs tors. theta energy: -92.106
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: 3, replica: 9
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1149.868050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.868050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.058080 (E_RNA)
where:
Base-Base interactions energy: -804.466
where: short stacking energy: -345.646
Base-Backbone interact. energy: -0.327
local terms energy: -353.264609
where:
bonds (distance) C4'-P energy: -71.994
bonds (distance) P-C4' energy: -61.041
flat angles C4'-P-C4' energy: -79.118
flat angles P-C4'-P energy: -51.826
tors. eta vs tors. theta energy: -89.286
Dist. restrs. and SS energy: 8.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1137.928993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.928993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.274611 (E_RNA)
where:
Base-Base interactions energy: -784.756
where: short stacking energy: -328.435
Base-Backbone interact. energy: -2.292
local terms energy: -355.226661
where:
bonds (distance) C4'-P energy: -66.339
bonds (distance) P-C4' energy: -67.816
flat angles C4'-P-C4' energy: -67.583
flat angles P-C4'-P energy: -55.752
tors. eta vs tors. theta energy: -97.737
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: 5, replica: 3
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1068.643598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.643598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.059426 (E_RNA)
where:
Base-Base interactions energy: -736.480
where: short stacking energy: -300.523
Base-Backbone interact. energy: -2.325
local terms energy: -333.254214
where:
bonds (distance) C4'-P energy: -64.891
bonds (distance) P-C4' energy: -70.253
flat angles C4'-P-C4' energy: -64.355
flat angles P-C4'-P energy: -53.468
tors. eta vs tors. theta energy: -80.288
Dist. restrs. and SS energy: 3.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1035.842857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.842857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.589225 (E_RNA)
where:
Base-Base interactions energy: -729.858
where: short stacking energy: -282.731
Base-Backbone interact. energy: -1.604
local terms energy: -307.127429
where:
bonds (distance) C4'-P energy: -47.804
bonds (distance) P-C4' energy: -65.809
flat angles C4'-P-C4' energy: -81.851
flat angles P-C4'-P energy: -37.544
tors. eta vs tors. theta energy: -74.119
Dist. restrs. and SS energy: 2.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -950.716976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.716976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.500226 (E_RNA)
where:
Base-Base interactions energy: -674.252
where: short stacking energy: -249.999
Base-Backbone interact. energy: -1.375
local terms energy: -278.874068
where:
bonds (distance) C4'-P energy: -57.511
bonds (distance) P-C4' energy: -48.898
flat angles C4'-P-C4' energy: -60.216
flat angles P-C4'-P energy: -47.812
tors. eta vs tors. theta energy: -64.438
Dist. restrs. and SS energy: 3.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -926.665180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.665180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.455716 (E_RNA)
where:
Base-Base interactions energy: -631.195
where: short stacking energy: -253.142
Base-Backbone interact. energy: -0.980
local terms energy: -298.280607
where:
bonds (distance) C4'-P energy: -57.935
bonds (distance) P-C4' energy: -69.651
flat angles C4'-P-C4' energy: -56.621
flat angles P-C4'-P energy: -52.065
tors. eta vs tors. theta energy: -62.009
Dist. restrs. and SS energy: 3.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -950.297624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.297624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.606627 (E_RNA)
where:
Base-Base interactions energy: -674.477
where: short stacking energy: -269.049
Base-Backbone interact. energy: -0.242
local terms energy: -278.886984
where:
bonds (distance) C4'-P energy: -47.580
bonds (distance) P-C4' energy: -55.355
flat angles C4'-P-C4' energy: -57.713
flat angles P-C4'-P energy: -40.088
tors. eta vs tors. theta energy: -78.151
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: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -788.321501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.321501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.385418 (E_RNA)
where:
Base-Base interactions energy: -543.957
where: short stacking energy: -224.349
Base-Backbone interact. energy: -1.339
local terms energy: -260.089565
where:
bonds (distance) C4'-P energy: -69.963
bonds (distance) P-C4' energy: -55.708
flat angles C4'-P-C4' energy: -61.599
flat angles P-C4'-P energy: -38.225
tors. eta vs tors. theta energy: -34.594
Dist. restrs. and SS energy: 17.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1210.638940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.638940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.377663 (E_RNA)
where:
Base-Base interactions energy: -842.440
where: short stacking energy: -356.436
Base-Backbone interact. energy: -2.769
local terms energy: -368.168783
where:
bonds (distance) C4'-P energy: -73.641
bonds (distance) P-C4' energy: -73.001
flat angles C4'-P-C4' energy: -78.450
flat angles P-C4'-P energy: -45.241
tors. eta vs tors. theta energy: -97.836
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: 8
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1193.492494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.492494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.098078 (E_RNA)
where:
Base-Base interactions energy: -817.538
where: short stacking energy: -334.317
Base-Backbone interact. energy: -1.748
local terms energy: -377.812664
where:
bonds (distance) C4'-P energy: -60.484
bonds (distance) P-C4' energy: -75.962
flat angles C4'-P-C4' energy: -79.822
flat angles P-C4'-P energy: -56.285
tors. eta vs tors. theta energy: -105.259
Dist. restrs. and SS energy: 3.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1149.391309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.391309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.766264 (E_RNA)
where:
Base-Base interactions energy: -813.209
where: short stacking energy: -330.070
Base-Backbone interact. energy: -1.795
local terms energy: -339.762409
where:
bonds (distance) C4'-P energy: -63.852
bonds (distance) P-C4' energy: -76.685
flat angles C4'-P-C4' energy: -74.618
flat angles P-C4'-P energy: -37.969
tors. eta vs tors. theta energy: -86.638
Dist. restrs. and SS energy: 5.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1120.329510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.329510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.859622 (E_RNA)
where:
Base-Base interactions energy: -784.838
where: short stacking energy: -325.557
Base-Backbone interact. energy: -1.784
local terms energy: -342.238149
where:
bonds (distance) C4'-P energy: -59.927
bonds (distance) P-C4' energy: -71.096
flat angles C4'-P-C4' energy: -69.432
flat angles P-C4'-P energy: -50.740
tors. eta vs tors. theta energy: -91.043
Dist. restrs. and SS energy: 8.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1060.247898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.247898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.125496 (E_RNA)
where:
Base-Base interactions energy: -731.889
where: short stacking energy: -284.243
Base-Backbone interact. energy: -0.388
local terms energy: -331.848741
where:
bonds (distance) C4'-P energy: -70.987
bonds (distance) P-C4' energy: -69.246
flat angles C4'-P-C4' energy: -61.886
flat angles P-C4'-P energy: -50.564
tors. eta vs tors. theta energy: -79.165
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: 6, replica: 5
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1079.449464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.449464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.864427 (E_RNA)
where:
Base-Base interactions energy: -754.460
where: short stacking energy: -331.679
Base-Backbone interact. energy: 0.167
local terms energy: -329.570839
where:
bonds (distance) C4'-P energy: -59.672
bonds (distance) P-C4' energy: -61.568
flat angles C4'-P-C4' energy: -62.249
flat angles P-C4'-P energy: -56.409
tors. eta vs tors. theta energy: -89.673
Dist. restrs. and SS energy: 4.415 (S_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: 34
Temperature: 1.200000
Total energy: -984.279507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.279507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.128158 (E_RNA)
where:
Base-Base interactions energy: -716.543
where: short stacking energy: -299.190
Base-Backbone interact. energy: 0.420
local terms energy: -269.004751
where:
bonds (distance) C4'-P energy: -64.627
bonds (distance) P-C4' energy: -37.303
flat angles C4'-P-C4' energy: -57.386
flat angles P-C4'-P energy: -42.971
tors. eta vs tors. theta energy: -66.718
Dist. restrs. and SS energy: 0.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -935.729881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.729881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.079329 (E_RNA)
where:
Base-Base interactions energy: -668.825
where: short stacking energy: -273.717
Base-Backbone interact. energy: 1.145
local terms energy: -271.398855
where:
bonds (distance) C4'-P energy: -58.396
bonds (distance) P-C4' energy: -60.382
flat angles C4'-P-C4' energy: -42.985
flat angles P-C4'-P energy: -43.131
tors. eta vs tors. theta energy: -66.506
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: 9, replica: 2
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -952.508303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.508303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.307028 (E_RNA)
where:
Base-Base interactions energy: -674.703
where: short stacking energy: -263.997
Base-Backbone interact. energy: 1.293
local terms energy: -281.897095
where:
bonds (distance) C4'-P energy: -49.405
bonds (distance) P-C4' energy: -62.119
flat angles C4'-P-C4' energy: -59.698
flat angles P-C4'-P energy: -52.323
tors. eta vs tors. theta energy: -58.352
Dist. restrs. and SS energy: 2.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -782.676274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.676274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.707011 (E_RNA)
where:
Base-Base interactions energy: -547.301
where: short stacking energy: -218.321
Base-Backbone interact. energy: -2.754
local terms energy: -246.652017
where:
bonds (distance) C4'-P energy: -47.530
bonds (distance) P-C4' energy: -57.658
flat angles C4'-P-C4' energy: -54.073
flat angles P-C4'-P energy: -37.244
tors. eta vs tors. theta energy: -50.147
Dist. restrs. and SS energy: 14.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1204.784399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.784399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.089235 (E_RNA)
where:
Base-Base interactions energy: -851.437
where: short stacking energy: -362.798
Base-Backbone interact. energy: -2.509
local terms energy: -354.142711
where:
bonds (distance) C4'-P energy: -52.859
bonds (distance) P-C4' energy: -75.123
flat angles C4'-P-C4' energy: -80.749
flat angles P-C4'-P energy: -51.270
tors. eta vs tors. theta energy: -94.141
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: 2, replica: 8
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1192.384706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.384706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.528036 (E_RNA)
where:
Base-Base interactions energy: -832.315
where: short stacking energy: -353.454
Base-Backbone interact. energy: -1.279
local terms energy: -362.934823
where:
bonds (distance) C4'-P energy: -61.944
bonds (distance) P-C4' energy: -76.196
flat angles C4'-P-C4' energy: -73.777
flat angles P-C4'-P energy: -55.784
tors. eta vs tors. theta energy: -95.234
Dist. restrs. and SS energy: 4.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1131.710340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.710340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.170878 (E_RNA)
where:
Base-Base interactions energy: -804.709
where: short stacking energy: -322.771
Base-Backbone interact. energy: -1.286
local terms energy: -330.175502
where:
bonds (distance) C4'-P energy: -65.198
bonds (distance) P-C4' energy: -67.927
flat angles C4'-P-C4' energy: -70.461
flat angles P-C4'-P energy: -40.206
tors. eta vs tors. theta energy: -86.384
Dist. restrs. and SS energy: 4.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1152.332478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.332478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.825310 (E_RNA)
where:
Base-Base interactions energy: -821.574
where: short stacking energy: -311.577
Base-Backbone interact. energy: -2.435
local terms energy: -335.816042
where:
bonds (distance) C4'-P energy: -64.399
bonds (distance) P-C4' energy: -70.080
flat angles C4'-P-C4' energy: -63.649
flat angles P-C4'-P energy: -44.528
tors. eta vs tors. theta energy: -93.159
Dist. restrs. and SS energy: 7.493 (S_DIST_RNA)
chem. 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: -1090.763251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.763251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.097829 (E_RNA)
where:
Base-Base interactions energy: -762.213
where: short stacking energy: -300.305
Base-Backbone interact. energy: -2.831
local terms energy: -329.054297
where:
bonds (distance) C4'-P energy: -59.962
bonds (distance) P-C4' energy: -72.727
flat angles C4'-P-C4' energy: -70.013
flat angles P-C4'-P energy: -45.176
tors. eta vs tors. theta energy: -81.176
Dist. restrs. and SS energy: 3.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1047.265874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.265874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.647312 (E_RNA)
where:
Base-Base interactions energy: -746.331
where: short stacking energy: -305.533
Base-Backbone interact. energy: 0.801
local terms energy: -306.116854
where:
bonds (distance) C4'-P energy: -63.606
bonds (distance) P-C4' energy: -59.315
flat angles C4'-P-C4' energy: -60.771
flat angles P-C4'-P energy: -36.747
tors. eta vs tors. theta energy: -85.678
Dist. restrs. and SS energy: 4.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -980.659936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.659936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.206997 (E_RNA)
where:
Base-Base interactions energy: -689.134
where: short stacking energy: -269.620
Base-Backbone interact. energy: -3.082
local terms energy: -292.991369
where:
bonds (distance) C4'-P energy: -60.256
bonds (distance) P-C4' energy: -63.799
flat angles C4'-P-C4' energy: -70.176
flat angles P-C4'-P energy: -44.887
tors. eta vs tors. theta energy: -53.874
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: 8, replica: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -913.704287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.704287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.582875 (E_RNA)
where:
Base-Base interactions energy: -638.603
where: short stacking energy: -255.040
Base-Backbone interact. energy: -0.486
local terms energy: -281.494044
where:
bonds (distance) C4'-P energy: -66.051
bonds (distance) P-C4' energy: -64.296
flat angles C4'-P-C4' energy: -58.449
flat angles P-C4'-P energy: -39.863
tors. eta vs tors. theta energy: -52.835
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: 9, replica: 2
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -947.045140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.045140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.670782 (E_RNA)
where:
Base-Base interactions energy: -670.116
where: short stacking energy: -253.471
Base-Backbone interact. energy: -1.033
local terms energy: -280.521965
where:
bonds (distance) C4'-P energy: -51.570
bonds (distance) P-C4' energy: -47.120
flat angles C4'-P-C4' energy: -66.982
flat angles P-C4'-P energy: -49.589
tors. eta vs tors. theta energy: -65.260
Dist. restrs. and SS energy: 4.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -765.822114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.822114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.515863 (E_RNA)
where:
Base-Base interactions energy: -534.001
where: short stacking energy: -217.607
Base-Backbone interact. energy: 2.588
local terms energy: -246.102609
where:
bonds (distance) C4'-P energy: -58.632
bonds (distance) P-C4' energy: -46.132
flat angles C4'-P-C4' energy: -60.272
flat angles P-C4'-P energy: -40.982
tors. eta vs tors. theta energy: -40.085
Dist. restrs. and SS energy: 11.694 (S_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: -1212.471920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.471920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.651678 (E_RNA)
where:
Base-Base interactions energy: -839.086
where: short stacking energy: -347.365
Base-Backbone interact. energy: -1.305
local terms energy: -376.260299
where:
bonds (distance) C4'-P energy: -69.301
bonds (distance) P-C4' energy: -75.307
flat angles C4'-P-C4' energy: -85.991
flat angles P-C4'-P energy: -48.976
tors. eta vs tors. theta energy: -96.685
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: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1185.154812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.154812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.026828 (E_RNA)
where:
Base-Base interactions energy: -820.506
where: short stacking energy: -349.332
Base-Backbone interact. energy: -2.318
local terms energy: -366.203075
where:
bonds (distance) C4'-P energy: -63.266
bonds (distance) P-C4' energy: -72.536
flat angles C4'-P-C4' energy: -76.451
flat angles P-C4'-P energy: -54.007
tors. eta vs tors. theta energy: -99.942
Dist. restrs. and SS energy: 3.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1153.338024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.338024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.884488 (E_RNA)
where:
Base-Base interactions energy: -807.857
where: short stacking energy: -321.905
Base-Backbone interact. energy: -2.134
local terms energy: -349.893435
where:
bonds (distance) C4'-P energy: -69.991
bonds (distance) P-C4' energy: -66.542
flat angles C4'-P-C4' energy: -77.158
flat angles P-C4'-P energy: -42.769
tors. eta vs tors. theta energy: -93.433
Dist. restrs. and SS energy: 6.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1140.649441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.649441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.419824 (E_RNA)
where:
Base-Base interactions energy: -789.385
where: short stacking energy: -306.529
Base-Backbone interact. energy: -2.600
local terms energy: -355.434932
where:
bonds (distance) C4'-P energy: -59.074
bonds (distance) P-C4' energy: -69.656
flat angles C4'-P-C4' energy: -73.349
flat angles P-C4'-P energy: -57.257
tors. eta vs tors. theta energy: -96.099
Dist. restrs. and SS energy: 6.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1094.839490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.839490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.538686 (E_RNA)
where:
Base-Base interactions energy: -765.679
where: short stacking energy: -318.625
Base-Backbone interact. energy: 0.995
local terms energy: -334.855245
where:
bonds (distance) C4'-P energy: -65.370
bonds (distance) P-C4' energy: -56.344
flat angles C4'-P-C4' energy: -74.043
flat angles P-C4'-P energy: -47.793
tors. eta vs tors. theta energy: -91.305
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: 6, replica: 3
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1044.513087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.513087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.693429 (E_RNA)
where:
Base-Base interactions energy: -731.049
where: short stacking energy: -295.551
Base-Backbone interact. energy: 1.140
local terms energy: -318.783676
where:
bonds (distance) C4'-P energy: -51.648
bonds (distance) P-C4' energy: -66.566
flat angles C4'-P-C4' energy: -69.851
flat angles P-C4'-P energy: -48.204
tors. eta vs tors. theta energy: -82.515
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: 7, replica: 1
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -995.074779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.074779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.302349 (E_RNA)
where:
Base-Base interactions energy: -689.559
where: short stacking energy: -274.323
Base-Backbone interact. energy: -2.922
local terms energy: -305.821978
where:
bonds (distance) C4'-P energy: -60.139
bonds (distance) P-C4' energy: -65.443
flat angles C4'-P-C4' energy: -67.711
flat angles P-C4'-P energy: -45.590
tors. eta vs tors. theta energy: -66.939
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: 8, replica: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -929.040033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.040033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.921112 (E_RNA)
where:
Base-Base interactions energy: -650.913
where: short stacking energy: -246.502
Base-Backbone interact. energy: -1.575
local terms energy: -286.433338
where:
bonds (distance) C4'-P energy: -50.358
bonds (distance) P-C4' energy: -65.596
flat angles C4'-P-C4' energy: -58.965
flat angles P-C4'-P energy: -48.042
tors. eta vs tors. theta energy: -63.473
Dist. restrs. and SS energy: 9.881 (S_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: 36
Temperature: 1.300000
Total energy: -908.914905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.914905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.220087 (E_RNA)
where:
Base-Base interactions energy: -626.680
where: short stacking energy: -224.191
Base-Backbone interact. energy: -1.210
local terms energy: -286.330666
where:
bonds (distance) C4'-P energy: -57.911
bonds (distance) P-C4' energy: -58.585
flat angles C4'-P-C4' energy: -65.475
flat angles P-C4'-P energy: -36.732
tors. eta vs tors. theta energy: -67.627
Dist. restrs. and SS energy: 5.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -742.218659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.218659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.824386 (E_RNA)
where:
Base-Base interactions energy: -507.056
where: short stacking energy: -206.835
Base-Backbone interact. energy: 2.075
local terms energy: -248.843304
where:
bonds (distance) C4'-P energy: -57.542
bonds (distance) P-C4' energy: -57.083
flat angles C4'-P-C4' energy: -69.098
flat angles P-C4'-P energy: -24.503
tors. eta vs tors. theta energy: -40.617
Dist. restrs. and SS energy: 11.606 (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: 8
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1231.542083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.542083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.698302 (E_RNA)
where:
Base-Base interactions energy: -858.207
where: short stacking energy: -360.947
Base-Backbone interact. energy: -1.472
local terms energy: -375.019176
where:
bonds (distance) C4'-P energy: -72.809
bonds (distance) P-C4' energy: -71.311
flat angles C4'-P-C4' energy: -78.832
flat angles P-C4'-P energy: -59.906
tors. eta vs tors. theta energy: -92.161
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: 2, replica: 9
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1167.047832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.047832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.564815 (E_RNA)
where:
Base-Base interactions energy: -835.185
where: short stacking energy: -337.473
Base-Backbone interact. energy: -0.160
local terms energy: -337.219967
where:
bonds (distance) C4'-P energy: -62.813
bonds (distance) P-C4' energy: -68.873
flat angles C4'-P-C4' energy: -73.928
flat angles P-C4'-P energy: -40.864
tors. eta vs tors. theta energy: -90.742
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: 3, replica: 4
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1147.226477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.226477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.144214 (E_RNA)
where:
Base-Base interactions energy: -794.994
where: short stacking energy: -335.634
Base-Backbone interact. energy: -2.948
local terms energy: -352.201447
where:
bonds (distance) C4'-P energy: -63.943
bonds (distance) P-C4' energy: -73.631
flat angles C4'-P-C4' energy: -75.110
flat angles P-C4'-P energy: -46.982
tors. eta vs tors. theta energy: -92.536
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: 37
Temperature: 1.050000
Total energy: -1110.470741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.470741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.719123 (E_RNA)
where:
Base-Base interactions energy: -781.757
where: short stacking energy: -334.631
Base-Backbone interact. energy: -2.163
local terms energy: -331.798804
where:
bonds (distance) C4'-P energy: -58.822
bonds (distance) P-C4' energy: -65.441
flat angles C4'-P-C4' energy: -70.542
flat angles P-C4'-P energy: -48.149
tors. eta vs tors. theta energy: -88.845
Dist. restrs. and SS energy: 5.248 (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: 37
Temperature: 1.100000
Total energy: -1102.033749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.033749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.826204 (E_RNA)
where:
Base-Base interactions energy: -774.616
where: short stacking energy: -297.528
Base-Backbone interact. energy: -1.917
local terms energy: -330.293012
where:
bonds (distance) C4'-P energy: -67.050
bonds (distance) P-C4' energy: -63.947
flat angles C4'-P-C4' energy: -73.787
flat angles P-C4'-P energy: -45.277
tors. eta vs tors. theta energy: -80.232
Dist. restrs. and SS energy: 4.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1053.099346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.099346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.027060 (E_RNA)
where:
Base-Base interactions energy: -756.174
where: short stacking energy: -299.430
Base-Backbone interact. energy: 3.335
local terms energy: -303.188838
where:
bonds (distance) C4'-P energy: -57.823
bonds (distance) P-C4' energy: -63.060
flat angles C4'-P-C4' energy: -66.971
flat angles P-C4'-P energy: -40.868
tors. eta vs tors. theta energy: -74.466
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: 7, replica: 1
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -970.828092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.828092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.587105 (E_RNA)
where:
Base-Base interactions energy: -682.984
where: short stacking energy: -262.136
Base-Backbone interact. energy: 2.426
local terms energy: -295.029325
where:
bonds (distance) C4'-P energy: -58.104
bonds (distance) P-C4' energy: -66.827
flat angles C4'-P-C4' energy: -71.559
flat angles P-C4'-P energy: -45.669
tors. eta vs tors. theta energy: -52.870
Dist. restrs. and SS energy: 4.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -968.262182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.262182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.492882 (E_RNA)
where:
Base-Base interactions energy: -686.516
where: short stacking energy: -281.615
Base-Backbone interact. energy: -1.373
local terms energy: -284.604051
where:
bonds (distance) C4'-P energy: -52.355
bonds (distance) P-C4' energy: -55.495
flat angles C4'-P-C4' energy: -58.683
flat angles P-C4'-P energy: -40.426
tors. eta vs tors. theta energy: -77.646
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: 9, replica: 2
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -934.048071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.048071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.795667 (E_RNA)
where:
Base-Base interactions energy: -649.957
where: short stacking energy: -239.211
Base-Backbone interact. energy: -3.533
local terms energy: -282.305898
where:
bonds (distance) C4'-P energy: -60.108
bonds (distance) P-C4' energy: -44.228
flat angles C4'-P-C4' energy: -64.502
flat angles P-C4'-P energy: -46.306
tors. eta vs tors. theta energy: -67.162
Dist. restrs. and SS energy: 1.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -816.378570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.378570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.790623 (E_RNA)
where:
Base-Base interactions energy: -563.010
where: short stacking energy: -211.036
Base-Backbone interact. energy: 0.097
local terms energy: -260.877699
where:
bonds (distance) C4'-P energy: -63.014
bonds (distance) P-C4' energy: -54.869
flat angles C4'-P-C4' energy: -67.282
flat angles P-C4'-P energy: -33.148
tors. eta vs tors. theta energy: -42.565
Dist. restrs. and SS energy: 7.412 (S_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: -1236.850602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.850602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.184529 (E_RNA)
where:
Base-Base interactions energy: -882.930
where: short stacking energy: -351.673
Base-Backbone interact. energy: 1.628
local terms energy: -357.882636
where:
bonds (distance) C4'-P energy: -69.121
bonds (distance) P-C4' energy: -60.947
flat angles C4'-P-C4' energy: -88.483
flat angles P-C4'-P energy: -42.911
tors. eta vs tors. theta energy: -96.420
Dist. restrs. and SS energy: 2.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1180.378794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.378794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.550728 (E_RNA)
where:
Base-Base interactions energy: -831.511
where: short stacking energy: -322.906
Base-Backbone interact. energy: -4.408
local terms energy: -350.632301
where:
bonds (distance) C4'-P energy: -70.387
bonds (distance) P-C4' energy: -64.333
flat angles C4'-P-C4' energy: -75.586
flat angles P-C4'-P energy: -52.438
tors. eta vs tors. theta energy: -87.890
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: 3, replica: 5
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1126.785129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.785129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.393514 (E_RNA)
where:
Base-Base interactions energy: -795.354
where: short stacking energy: -318.902
Base-Backbone interact. energy: -6.266
local terms energy: -330.773625
where:
bonds (distance) C4'-P energy: -47.056
bonds (distance) P-C4' energy: -66.989
flat angles C4'-P-C4' energy: -73.136
flat angles P-C4'-P energy: -56.015
tors. eta vs tors. theta energy: -87.578
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: 4, replica: 4
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1096.599559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.599559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.041703 (E_RNA)
where:
Base-Base interactions energy: -762.683
where: short stacking energy: -323.586
Base-Backbone interact. energy: -1.334
local terms energy: -337.025251
where:
bonds (distance) C4'-P energy: -63.480
bonds (distance) P-C4' energy: -64.021
flat angles C4'-P-C4' energy: -76.565
flat angles P-C4'-P energy: -42.443
tors. eta vs tors. theta energy: -90.515
Dist. restrs. and SS energy: 4.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1077.658381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.658381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.766242 (E_RNA)
where:
Base-Base interactions energy: -762.047
where: short stacking energy: -307.998
Base-Backbone interact. energy: -2.189
local terms energy: -320.529814
where:
bonds (distance) C4'-P energy: -50.714
bonds (distance) P-C4' energy: -58.170
flat angles C4'-P-C4' energy: -66.997
flat angles P-C4'-P energy: -58.597
tors. eta vs tors. theta energy: -86.052
Dist. restrs. and SS energy: 7.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1056.873544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.873544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.202662 (E_RNA)
where:
Base-Base interactions energy: -719.361
where: short stacking energy: -288.573
Base-Backbone interact. energy: -1.460
local terms energy: -337.381274
where:
bonds (distance) C4'-P energy: -72.873
bonds (distance) P-C4' energy: -63.587
flat angles C4'-P-C4' energy: -68.568
flat angles P-C4'-P energy: -45.291
tors. eta vs tors. theta energy: -87.061
Dist. restrs. and SS energy: 1.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -992.951271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.951271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.113786 (E_RNA)
where:
Base-Base interactions energy: -700.348
where: short stacking energy: -283.165
Base-Backbone interact. energy: 0.504
local terms energy: -296.269374
where:
bonds (distance) C4'-P energy: -57.844
bonds (distance) P-C4' energy: -57.738
flat angles C4'-P-C4' energy: -77.959
flat angles P-C4'-P energy: -39.728
tors. eta vs tors. theta energy: -63.001
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: 8, replica: 1
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -960.966585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.966585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.926210 (E_RNA)
where:
Base-Base interactions energy: -667.360
where: short stacking energy: -248.844
Base-Backbone interact. energy: -2.907
local terms energy: -296.658452
where:
bonds (distance) C4'-P energy: -56.942
bonds (distance) P-C4' energy: -62.498
flat angles C4'-P-C4' energy: -71.156
flat angles P-C4'-P energy: -49.407
tors. eta vs tors. theta energy: -56.655
Dist. restrs. and SS energy: 5.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -811.498729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.498729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.148693 (E_RNA)
where:
Base-Base interactions energy: -573.734
where: short stacking energy: -222.544
Base-Backbone interact. energy: -0.750
local terms energy: -238.664531
where:
bonds (distance) C4'-P energy: -56.962
bonds (distance) P-C4' energy: -63.080
flat angles C4'-P-C4' energy: -51.329
flat angles P-C4'-P energy: -25.461
tors. eta vs tors. theta energy: -41.833
Dist. restrs. and SS energy: 1.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -864.813373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.813373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.851614 (E_RNA)
where:
Base-Base interactions energy: -624.225
where: short stacking energy: -253.097
Base-Backbone interact. energy: 4.395
local terms energy: -252.021589
where:
bonds (distance) C4'-P energy: -57.775
bonds (distance) P-C4' energy: -53.602
flat angles C4'-P-C4' energy: -60.696
flat angles P-C4'-P energy: -23.345
tors. eta vs tors. theta energy: -56.604
Dist. restrs. and SS energy: 7.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1242.429206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.429206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.974608 (E_RNA)
where:
Base-Base interactions energy: -861.463
where: short stacking energy: -376.103
Base-Backbone interact. energy: 2.492
local terms energy: -387.004324
where:
bonds (distance) C4'-P energy: -65.383
bonds (distance) P-C4' energy: -76.998
flat angles C4'-P-C4' energy: -85.547
flat angles P-C4'-P energy: -55.808
tors. eta vs tors. theta energy: -103.269
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: 2, replica: 9
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1158.792284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.792284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.462569 (E_RNA)
where:
Base-Base interactions energy: -812.595
where: short stacking energy: -340.226
Base-Backbone interact. energy: -1.744
local terms energy: -352.123588
where:
bonds (distance) C4'-P energy: -67.916
bonds (distance) P-C4' energy: -60.251
flat angles C4'-P-C4' energy: -75.435
flat angles P-C4'-P energy: -52.507
tors. eta vs tors. theta energy: -96.014
Dist. restrs. and SS energy: 7.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1154.113769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.113769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.166265 (E_RNA)
where:
Base-Base interactions energy: -809.355
where: short stacking energy: -323.374
Base-Backbone interact. energy: 0.396
local terms energy: -348.207813
where:
bonds (distance) C4'-P energy: -77.555
bonds (distance) P-C4' energy: -57.496
flat angles C4'-P-C4' energy: -70.668
flat angles P-C4'-P energy: -52.923
tors. eta vs tors. theta energy: -89.567
Dist. restrs. and SS energy: 3.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1066.952555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.952555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.355243 (E_RNA)
where:
Base-Base interactions energy: -748.352
where: short stacking energy: -295.059
Base-Backbone interact. energy: -1.460
local terms energy: -317.542973
where:
bonds (distance) C4'-P energy: -59.918
bonds (distance) P-C4' energy: -70.759
flat angles C4'-P-C4' energy: -66.021
flat angles P-C4'-P energy: -48.473
tors. eta vs tors. theta energy: -72.372
Dist. restrs. and SS energy: 0.403 (S_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: 39
Temperature: 1.100000
Total energy: -1078.690369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.690369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.348730 (E_RNA)
where:
Base-Base interactions energy: -762.487
where: short stacking energy: -310.347
Base-Backbone interact. energy: -0.654
local terms energy: -318.207678
where:
bonds (distance) C4'-P energy: -55.189
bonds (distance) P-C4' energy: -51.596
flat angles C4'-P-C4' energy: -65.806
flat angles P-C4'-P energy: -59.369
tors. eta vs tors. theta energy: -86.247
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: 6, replica: 3
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1028.479950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.479950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.876900 (E_RNA)
where:
Base-Base interactions energy: -733.356
where: short stacking energy: -288.900
Base-Backbone interact. energy: -3.421
local terms energy: -295.099327
where:
bonds (distance) C4'-P energy: -58.501
bonds (distance) P-C4' energy: -55.093
flat angles C4'-P-C4' energy: -73.204
flat angles P-C4'-P energy: -44.599
tors. eta vs tors. theta energy: -63.702
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: 10
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1001.513295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.513295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.603681 (E_RNA)
where:
Base-Base interactions energy: -707.508
where: short stacking energy: -285.947
Base-Backbone interact. energy: -2.186
local terms energy: -294.909907
where:
bonds (distance) C4'-P energy: -53.542
bonds (distance) P-C4' energy: -56.130
flat angles C4'-P-C4' energy: -60.090
flat angles P-C4'-P energy: -47.044
tors. eta vs tors. theta energy: -78.104
Dist. restrs. and SS energy: 3.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -969.981792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.981792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.835085 (E_RNA)
where:
Base-Base interactions energy: -676.561
where: short stacking energy: -278.787
Base-Backbone interact. energy: -0.616
local terms energy: -302.657981
where:
bonds (distance) C4'-P energy: -60.058
bonds (distance) P-C4' energy: -55.400
flat angles C4'-P-C4' energy: -68.369
flat angles P-C4'-P energy: -46.311
tors. eta vs tors. theta energy: -72.521
Dist. restrs. and SS energy: 9.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -777.105711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.105711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.644754 (E_RNA)
where:
Base-Base interactions energy: -528.496
where: short stacking energy: -207.920
Base-Backbone interact. energy: -0.871
local terms energy: -254.278097
where:
bonds (distance) C4'-P energy: -54.390
bonds (distance) P-C4' energy: -64.695
flat angles C4'-P-C4' energy: -55.296
flat angles P-C4'-P energy: -31.383
tors. eta vs tors. theta energy: -48.513
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: 10, replica: 2
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -877.998910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.998910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.190388 (E_RNA)
where:
Base-Base interactions energy: -619.853
where: short stacking energy: -238.454
Base-Backbone interact. energy: -3.145
local terms energy: -260.192663
where:
bonds (distance) C4'-P energy: -59.965
bonds (distance) P-C4' energy: -48.797
flat angles C4'-P-C4' energy: -58.966
flat angles P-C4'-P energy: -32.459
tors. eta vs tors. theta energy: -60.005
Dist. restrs. and SS energy: 5.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1250.087923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.087923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.300384 (E_RNA)
where:
Base-Base interactions energy: -867.515
where: short stacking energy: -357.229
Base-Backbone interact. energy: -1.573
local terms energy: -384.212001
where:
bonds (distance) C4'-P energy: -70.923
bonds (distance) P-C4' energy: -73.178
flat angles C4'-P-C4' energy: -79.437
flat angles P-C4'-P energy: -56.327
tors. eta vs tors. theta energy: -104.346
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: 2, replica: 9
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1161.328017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.328017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.299469 (E_RNA)
where:
Base-Base interactions energy: -831.293
where: short stacking energy: -330.412
Base-Backbone interact. energy: -1.030
local terms energy: -334.977189
where:
bonds (distance) C4'-P energy: -61.315
bonds (distance) P-C4' energy: -64.189
flat angles C4'-P-C4' energy: -73.633
flat angles P-C4'-P energy: -48.624
tors. eta vs tors. theta energy: -87.215
Dist. restrs. and SS energy: 5.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1161.239447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.239447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.573668 (E_RNA)
where:
Base-Base interactions energy: -806.009
where: short stacking energy: -345.172
Base-Backbone interact. energy: -2.899
local terms energy: -356.665562
where:
bonds (distance) C4'-P energy: -63.656
bonds (distance) P-C4' energy: -73.934
flat angles C4'-P-C4' energy: -75.194
flat angles P-C4'-P energy: -47.830
tors. eta vs tors. theta energy: -96.052
Dist. restrs. and SS energy: 4.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1085.436061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.436061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.106159 (E_RNA)
where:
Base-Base interactions energy: -756.775
where: short stacking energy: -321.713
Base-Backbone interact. energy: -0.416
local terms energy: -328.915165
where:
bonds (distance) C4'-P energy: -60.887
bonds (distance) P-C4' energy: -66.592
flat angles C4'-P-C4' energy: -75.025
flat angles P-C4'-P energy: -49.571
tors. eta vs tors. theta energy: -76.839
Dist. restrs. and SS energy: 0.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1085.568586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.568586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.274439 (E_RNA)
where:
Base-Base interactions energy: -772.808
where: short stacking energy: -308.751
Base-Backbone interact. energy: -1.925
local terms energy: -311.541959
where:
bonds (distance) C4'-P energy: -53.861
bonds (distance) P-C4' energy: -67.043
flat angles C4'-P-C4' energy: -69.620
flat angles P-C4'-P energy: -42.328
tors. eta vs tors. theta energy: -78.690
Dist. restrs. and SS energy: 0.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1049.813787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.813787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.054894 (E_RNA)
where:
Base-Base interactions energy: -741.300
where: short stacking energy: -283.112
Base-Backbone interact. energy: -2.095
local terms energy: -310.660583
where:
bonds (distance) C4'-P energy: -63.331
bonds (distance) P-C4' energy: -59.921
flat angles C4'-P-C4' energy: -66.053
flat angles P-C4'-P energy: -46.719
tors. eta vs tors. theta energy: -74.636
Dist. restrs. and SS energy: 4.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1012.284047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.284047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.877520 (E_RNA)
where:
Base-Base interactions energy: -707.782
where: short stacking energy: -278.005
Base-Backbone interact. energy: -1.855
local terms energy: -308.239938
where:
bonds (distance) C4'-P energy: -58.993
bonds (distance) P-C4' energy: -68.518
flat angles C4'-P-C4' energy: -61.077
flat angles P-C4'-P energy: -42.506
tors. eta vs tors. theta energy: -77.145
Dist. restrs. and SS energy: 5.593 (S_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: 40
Temperature: 1.250000
Total energy: -942.842161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.842161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.217272 (E_RNA)
where:
Base-Base interactions energy: -674.195
where: short stacking energy: -261.078
Base-Backbone interact. energy: -0.409
local terms energy: -269.613616
where:
bonds (distance) C4'-P energy: -52.864
bonds (distance) P-C4' energy: -52.703
flat angles C4'-P-C4' energy: -62.518
flat angles P-C4'-P energy: -42.127
tors. eta vs tors. theta energy: -59.402
Dist. restrs. and SS energy: 1.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -922.137671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.137671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.487296 (E_RNA)
where:
Base-Base interactions energy: -645.077
where: short stacking energy: -254.667
Base-Backbone interact. energy: 0.971
local terms energy: -283.380751
where:
bonds (distance) C4'-P energy: -53.306
bonds (distance) P-C4' energy: -54.903
flat angles C4'-P-C4' energy: -67.146
flat angles P-C4'-P energy: -46.060
tors. eta vs tors. theta energy: -61.965
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: 10, replica: 6
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -754.414944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.414944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.220168 (E_RNA)
where:
Base-Base interactions energy: -525.234
where: short stacking energy: -216.402
Base-Backbone interact. energy: -1.062
local terms energy: -245.924725
where:
bonds (distance) C4'-P energy: -52.260
bonds (distance) P-C4' energy: -68.326
flat angles C4'-P-C4' energy: -47.836
flat angles P-C4'-P energy: -26.224
tors. eta vs tors. theta energy: -51.279
Dist. restrs. and SS energy: 17.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1263.665315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.665315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.041744 (E_RNA)
where:
Base-Base interactions energy: -887.200
where: short stacking energy: -380.857
Base-Backbone interact. energy: -1.321
local terms energy: -379.520599
where:
bonds (distance) C4'-P energy: -61.679
bonds (distance) P-C4' energy: -70.871
flat angles C4'-P-C4' energy: -82.959
flat angles P-C4'-P energy: -49.529
tors. eta vs tors. theta energy: -114.482
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: 2, replica: 9
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1186.135958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.135958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.772061 (E_RNA)
where:
Base-Base interactions energy: -829.463
where: short stacking energy: -345.872
Base-Backbone interact. energy: -3.914
local terms energy: -363.394765
where:
bonds (distance) C4'-P energy: -57.054
bonds (distance) P-C4' energy: -77.804
flat angles C4'-P-C4' energy: -82.931
flat angles P-C4'-P energy: -49.362
tors. eta vs tors. theta energy: -96.245
Dist. restrs. and SS energy: 10.636 (S_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: -1152.643087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.643087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.630825 (E_RNA)
where:
Base-Base interactions energy: -815.475
where: short stacking energy: -335.151
Base-Backbone interact. energy: -3.027
local terms energy: -338.129244
where:
bonds (distance) C4'-P energy: -59.223
bonds (distance) P-C4' energy: -61.196
flat angles C4'-P-C4' energy: -74.174
flat angles P-C4'-P energy: -50.649
tors. eta vs tors. theta energy: -92.887
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: 4, replica: 7
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1141.785946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.785946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.577602 (E_RNA)
where:
Base-Base interactions energy: -807.978
where: short stacking energy: -311.533
Base-Backbone interact. energy: -2.533
local terms energy: -332.066772
where:
bonds (distance) C4'-P energy: -62.942
bonds (distance) P-C4' energy: -57.905
flat angles C4'-P-C4' energy: -71.208
flat angles P-C4'-P energy: -52.258
tors. eta vs tors. theta energy: -87.755
Dist. restrs. and SS energy: 0.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1072.201347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.201347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.730242 (E_RNA)
where:
Base-Base interactions energy: -741.917
where: short stacking energy: -317.135
Base-Backbone interact. energy: -0.194
local terms energy: -330.619703
where:
bonds (distance) C4'-P energy: -57.835
bonds (distance) P-C4' energy: -66.504
flat angles C4'-P-C4' energy: -78.238
flat angles P-C4'-P energy: -48.470
tors. eta vs tors. theta energy: -79.574
Dist. restrs. and SS energy: 0.529 (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: 3
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1063.511987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.511987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.329777 (E_RNA)
where:
Base-Base interactions energy: -770.712
where: short stacking energy: -302.925
Base-Backbone interact. energy: -0.481
local terms energy: -295.137733
where:
bonds (distance) C4'-P energy: -58.090
bonds (distance) P-C4' energy: -54.207
flat angles C4'-P-C4' energy: -58.849
flat angles P-C4'-P energy: -50.561
tors. eta vs tors. theta energy: -73.430
Dist. restrs. and SS energy: 2.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -994.216371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.216371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.759722 (E_RNA)
where:
Base-Base interactions energy: -685.446
where: short stacking energy: -279.078
Base-Backbone interact. energy: -2.622
local terms energy: -310.691768
where:
bonds (distance) C4'-P energy: -56.878
bonds (distance) P-C4' energy: -57.271
flat angles C4'-P-C4' energy: -77.211
flat angles P-C4'-P energy: -44.578
tors. eta vs tors. theta energy: -74.754
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: 8, replica: 2
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -966.019915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.019915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.714084 (E_RNA)
where:
Base-Base interactions energy: -689.952
where: short stacking energy: -261.716
Base-Backbone interact. energy: 7.759
local terms energy: -286.520828
where:
bonds (distance) C4'-P energy: -53.766
bonds (distance) P-C4' energy: -67.267
flat angles C4'-P-C4' energy: -61.401
flat angles P-C4'-P energy: -36.716
tors. eta vs tors. theta energy: -67.372
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: 9, replica: 1
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -927.983390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.983390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.714723 (E_RNA)
where:
Base-Base interactions energy: -638.481
where: short stacking energy: -263.888
Base-Backbone interact. energy: 3.140
local terms energy: -296.374327
where:
bonds (distance) C4'-P energy: -59.759
bonds (distance) P-C4' energy: -63.686
flat angles C4'-P-C4' energy: -62.027
flat angles P-C4'-P energy: -37.729
tors. eta vs tors. theta energy: -73.174
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: 10, replica: 6
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -775.738966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.738966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.199982 (E_RNA)
where:
Base-Base interactions energy: -527.880
where: short stacking energy: -221.388
Base-Backbone interact. energy: -2.445
local terms energy: -255.874361
where:
bonds (distance) C4'-P energy: -53.451
bonds (distance) P-C4' energy: -62.497
flat angles C4'-P-C4' energy: -49.827
flat angles P-C4'-P energy: -31.228
tors. eta vs tors. theta energy: -58.871
Dist. restrs. and SS energy: 10.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1264.419760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.419760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.924482 (E_RNA)
where:
Base-Base interactions energy: -872.427
where: short stacking energy: -367.994
Base-Backbone interact. energy: -2.235
local terms energy: -392.262874
where:
bonds (distance) C4'-P energy: -63.218
bonds (distance) P-C4' energy: -81.256
flat angles C4'-P-C4' energy: -84.170
flat angles P-C4'-P energy: -52.985
tors. eta vs tors. theta energy: -110.634
Dist. restrs. and SS energy: 2.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1173.276554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.276554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.582803 (E_RNA)
where:
Base-Base interactions energy: -826.454
where: short stacking energy: -332.752
Base-Backbone interact. energy: -1.317
local terms energy: -352.811451
where:
bonds (distance) C4'-P energy: -71.988
bonds (distance) P-C4' energy: -63.824
flat angles C4'-P-C4' energy: -79.192
flat angles P-C4'-P energy: -45.918
tors. eta vs tors. theta energy: -91.889
Dist. restrs. and SS energy: 7.306 (S_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: -1170.357756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.357756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.928885 (E_RNA)
where:
Base-Base interactions energy: -814.484
where: short stacking energy: -325.694
Base-Backbone interact. energy: -1.088
local terms energy: -358.356886
where:
bonds (distance) C4'-P energy: -60.134
bonds (distance) P-C4' energy: -68.437
flat angles C4'-P-C4' energy: -80.672
flat angles P-C4'-P energy: -51.977
tors. eta vs tors. theta energy: -97.137
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: 4, replica: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1115.998073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.998073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.030781 (E_RNA)
where:
Base-Base interactions energy: -782.571
where: short stacking energy: -313.266
Base-Backbone interact. energy: 0.091
local terms energy: -334.550814
where:
bonds (distance) C4'-P energy: -64.242
bonds (distance) P-C4' energy: -67.590
flat angles C4'-P-C4' energy: -64.838
flat angles P-C4'-P energy: -49.588
tors. eta vs tors. theta energy: -88.293
Dist. restrs. and SS energy: 1.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1052.803692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.803692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.235862 (E_RNA)
where:
Base-Base interactions energy: -742.933
where: short stacking energy: -296.864
Base-Backbone interact. energy: 1.087
local terms energy: -313.390057
where:
bonds (distance) C4'-P energy: -58.237
bonds (distance) P-C4' energy: -59.796
flat angles C4'-P-C4' energy: -70.692
flat angles P-C4'-P energy: -48.434
tors. eta vs tors. theta energy: -76.231
Dist. restrs. and SS energy: 2.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1022.630934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.630934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.659580 (E_RNA)
where:
Base-Base interactions energy: -711.585
where: short stacking energy: -289.980
Base-Backbone interact. energy: -2.422
local terms energy: -313.652963
where:
bonds (distance) C4'-P energy: -69.733
bonds (distance) P-C4' energy: -45.172
flat angles C4'-P-C4' energy: -71.928
flat angles P-C4'-P energy: -47.455
tors. eta vs tors. theta energy: -79.365
Dist. restrs. and SS energy: 5.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -976.210882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.210882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.593510 (E_RNA)
where:
Base-Base interactions energy: -692.185
where: short stacking energy: -280.865
Base-Backbone interact. energy: -2.238
local terms energy: -286.169974
where:
bonds (distance) C4'-P energy: -45.481
bonds (distance) P-C4' energy: -63.655
flat angles C4'-P-C4' energy: -63.243
flat angles P-C4'-P energy: -46.270
tors. eta vs tors. theta energy: -67.521
Dist. restrs. and SS energy: 4.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -971.749448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.749448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.530515 (E_RNA)
where:
Base-Base interactions energy: -685.704
where: short stacking energy: -259.274
Base-Backbone interact. energy: 1.868
local terms energy: -292.694332
where:
bonds (distance) C4'-P energy: -65.043
bonds (distance) P-C4' energy: -48.150
flat angles C4'-P-C4' energy: -65.699
flat angles P-C4'-P energy: -45.459
tors. eta vs tors. theta energy: -68.343
Dist. restrs. and SS energy: 4.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -915.102491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.102491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.516912 (E_RNA)
where:
Base-Base interactions energy: -640.357
where: short stacking energy: -265.047
Base-Backbone interact. energy: -0.408
local terms energy: -279.752657
where:
bonds (distance) C4'-P energy: -51.259
bonds (distance) P-C4' energy: -48.380
flat angles C4'-P-C4' energy: -67.705
flat angles P-C4'-P energy: -39.902
tors. eta vs tors. theta energy: -72.507
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: 10, replica: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -747.403204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.403204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.844139 (E_RNA)
where:
Base-Base interactions energy: -529.771
where: short stacking energy: -197.828
Base-Backbone interact. energy: -0.106
local terms energy: -229.966896
where:
bonds (distance) C4'-P energy: -42.965
bonds (distance) P-C4' energy: -50.380
flat angles C4'-P-C4' energy: -56.737
flat angles P-C4'-P energy: -37.599
tors. eta vs tors. theta energy: -42.287
Dist. restrs. and SS energy: 12.441 (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: 8
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1273.009112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.009112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.214413 (E_RNA)
where:
Base-Base interactions energy: -886.467
where: short stacking energy: -372.223
Base-Backbone interact. energy: -0.556
local terms energy: -390.190805
where:
bonds (distance) C4'-P energy: -71.449
bonds (distance) P-C4' energy: -73.611
flat angles C4'-P-C4' energy: -83.183
flat angles P-C4'-P energy: -60.076
tors. eta vs tors. theta energy: -101.872
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: 2, replica: 5
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1205.398677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.398677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.880851 (E_RNA)
where:
Base-Base interactions energy: -838.715
where: short stacking energy: -332.369
Base-Backbone interact. energy: 0.089
local terms energy: -371.254164
where:
bonds (distance) C4'-P energy: -78.301
bonds (distance) P-C4' energy: -70.259
flat angles C4'-P-C4' energy: -77.910
flat angles P-C4'-P energy: -49.624
tors. eta vs tors. theta energy: -95.161
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: 3, replica: 9
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1177.768579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.768579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.502792 (E_RNA)
where:
Base-Base interactions energy: -831.497
where: short stacking energy: -323.830
Base-Backbone interact. energy: -4.175
local terms energy: -349.831048
where:
bonds (distance) C4'-P energy: -74.075
bonds (distance) P-C4' energy: -67.099
flat angles C4'-P-C4' energy: -77.343
flat angles P-C4'-P energy: -40.824
tors. eta vs tors. theta energy: -90.490
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: 4, replica: 7
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1113.129779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.129779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.344017 (E_RNA)
where:
Base-Base interactions energy: -744.746
where: short stacking energy: -318.373
Base-Backbone interact. energy: -1.341
local terms energy: -369.256969
where:
bonds (distance) C4'-P energy: -75.053
bonds (distance) P-C4' energy: -77.999
flat angles C4'-P-C4' energy: -73.992
flat angles P-C4'-P energy: -51.260
tors. eta vs tors. theta energy: -90.952
Dist. restrs. and SS energy: 2.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1053.368542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.368542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.307834 (E_RNA)
where:
Base-Base interactions energy: -717.349
where: short stacking energy: -275.768
Base-Backbone interact. energy: -2.570
local terms energy: -335.388999
where:
bonds (distance) C4'-P energy: -63.413
bonds (distance) P-C4' energy: -74.006
flat angles C4'-P-C4' energy: -74.468
flat angles P-C4'-P energy: -50.512
tors. eta vs tors. theta energy: -72.990
Dist. restrs. and SS energy: 1.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1011.095651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.095651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.854108 (E_RNA)
where:
Base-Base interactions energy: -720.560
where: short stacking energy: -285.403
Base-Backbone interact. energy: 1.164
local terms energy: -294.458408
where:
bonds (distance) C4'-P energy: -62.063
bonds (distance) P-C4' energy: -60.710
flat angles C4'-P-C4' energy: -56.321
flat angles P-C4'-P energy: -44.795
tors. eta vs tors. theta energy: -70.569
Dist. restrs. and SS energy: 2.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1013.164700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.164700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.140050 (E_RNA)
where:
Base-Base interactions energy: -710.254
where: short stacking energy: -277.722
Base-Backbone interact. energy: -1.367
local terms energy: -304.518534
where:
bonds (distance) C4'-P energy: -62.572
bonds (distance) P-C4' energy: -59.006
flat angles C4'-P-C4' energy: -60.530
flat angles P-C4'-P energy: -49.043
tors. eta vs tors. theta energy: -73.368
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: 8, replica: 2
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -954.747404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.747404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.139983 (E_RNA)
where:
Base-Base interactions energy: -677.166
where: short stacking energy: -249.111
Base-Backbone interact. energy: 4.228
local terms energy: -284.201567
where:
bonds (distance) C4'-P energy: -57.724
bonds (distance) P-C4' energy: -46.375
flat angles C4'-P-C4' energy: -73.165
flat angles P-C4'-P energy: -38.651
tors. eta vs tors. theta energy: -68.286
Dist. restrs. and SS energy: 2.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -922.657067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.657067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.576654 (E_RNA)
where:
Base-Base interactions energy: -641.113
where: short stacking energy: -257.409
Base-Backbone interact. energy: -0.713
local terms energy: -285.750999
where:
bonds (distance) C4'-P energy: -53.117
bonds (distance) P-C4' energy: -70.779
flat angles C4'-P-C4' energy: -58.806
flat angles P-C4'-P energy: -39.308
tors. eta vs tors. theta energy: -63.740
Dist. restrs. and SS energy: 4.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -770.048308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.048308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.554071 (E_RNA)
where:
Base-Base interactions energy: -544.317
where: short stacking energy: -220.782
Base-Backbone interact. energy: -1.352
local terms energy: -239.884495
where:
bonds (distance) C4'-P energy: -45.993
bonds (distance) P-C4' energy: -52.969
flat angles C4'-P-C4' energy: -54.044
flat angles P-C4'-P energy: -40.619
tors. eta vs tors. theta energy: -46.259
Dist. restrs. and SS energy: 15.506 (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: 8
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1259.013011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.013011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.162791 (E_RNA)
where:
Base-Base interactions energy: -867.604
where: short stacking energy: -373.301
Base-Backbone interact. energy: 1.374
local terms energy: -395.932940
where:
bonds (distance) C4'-P energy: -77.189
bonds (distance) P-C4' energy: -71.989
flat angles C4'-P-C4' energy: -80.453
flat angles P-C4'-P energy: -59.381
tors. eta vs tors. theta energy: -106.920
Dist. restrs. and SS energy: 3.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1217.246736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.246736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.986928 (E_RNA)
where:
Base-Base interactions energy: -841.056
where: short stacking energy: -341.355
Base-Backbone interact. energy: -4.576
local terms energy: -374.354935
where:
bonds (distance) C4'-P energy: -68.243
bonds (distance) P-C4' energy: -71.584
flat angles C4'-P-C4' energy: -70.562
flat angles P-C4'-P energy: -58.746
tors. eta vs tors. theta energy: -105.220
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: 3, replica: 9
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1154.704593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.704593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.782180 (E_RNA)
where:
Base-Base interactions energy: -802.148
where: short stacking energy: -315.664
Base-Backbone interact. energy: 5.180
local terms energy: -363.814031
where:
bonds (distance) C4'-P energy: -75.609
bonds (distance) P-C4' energy: -66.439
flat angles C4'-P-C4' energy: -73.790
flat angles P-C4'-P energy: -59.759
tors. eta vs tors. theta energy: -88.217
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: 4, replica: 7
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1102.912238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.912238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.419880 (E_RNA)
where:
Base-Base interactions energy: -751.465
where: short stacking energy: -306.067
Base-Backbone interact. energy: -2.401
local terms energy: -351.554561
where:
bonds (distance) C4'-P energy: -63.788
bonds (distance) P-C4' energy: -74.024
flat angles C4'-P-C4' energy: -79.135
flat angles P-C4'-P energy: -54.934
tors. eta vs tors. theta energy: -79.672
Dist. restrs. and SS energy: 2.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1080.335100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.335100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.801719 (E_RNA)
where:
Base-Base interactions energy: -745.753
where: short stacking energy: -289.213
Base-Backbone interact. energy: -0.832
local terms energy: -338.217313
where:
bonds (distance) C4'-P energy: -60.072
bonds (distance) P-C4' energy: -73.599
flat angles C4'-P-C4' energy: -72.103
flat angles P-C4'-P energy: -49.149
tors. eta vs tors. theta energy: -83.294
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: 6, replica: 4
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1016.904710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.904710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.277083 (E_RNA)
where:
Base-Base interactions energy: -703.434
where: short stacking energy: -296.052
Base-Backbone interact. energy: -2.048
local terms energy: -317.795306
where:
bonds (distance) C4'-P energy: -54.169
bonds (distance) P-C4' energy: -64.306
flat angles C4'-P-C4' energy: -66.171
flat angles P-C4'-P energy: -50.405
tors. eta vs tors. theta energy: -82.744
Dist. restrs. and SS energy: 6.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -947.671479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.671479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.319322 (E_RNA)
where:
Base-Base interactions energy: -669.826
where: short stacking energy: -270.169
Base-Backbone interact. energy: -1.902
local terms energy: -281.591018
where:
bonds (distance) C4'-P energy: -61.540
bonds (distance) P-C4' energy: -58.342
flat angles C4'-P-C4' energy: -66.133
flat angles P-C4'-P energy: -33.949
tors. eta vs tors. theta energy: -61.627
Dist. restrs. and SS energy: 5.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -966.335954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.335954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.658651 (E_RNA)
where:
Base-Base interactions energy: -680.245
where: short stacking energy: -262.050
Base-Backbone interact. energy: 1.514
local terms energy: -292.927439
where:
bonds (distance) C4'-P energy: -49.268
bonds (distance) P-C4' energy: -60.643
flat angles C4'-P-C4' energy: -70.395
flat angles P-C4'-P energy: -44.363
tors. eta vs tors. theta energy: -68.258
Dist. restrs. and SS energy: 5.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -915.640451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.640451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.438840 (E_RNA)
where:
Base-Base interactions energy: -631.800
where: short stacking energy: -253.179
Base-Backbone interact. energy: 0.398
local terms energy: -293.036741
where:
bonds (distance) C4'-P energy: -63.193
bonds (distance) P-C4' energy: -43.044
flat angles C4'-P-C4' energy: -68.602
flat angles P-C4'-P energy: -44.715
tors. eta vs tors. theta energy: -73.482
Dist. restrs. and SS energy: 8.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -770.962296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.962296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.366129 (E_RNA)
where:
Base-Base interactions energy: -531.270
where: short stacking energy: -197.518
Base-Backbone interact. energy: -0.963
local terms energy: -242.132987
where:
bonds (distance) C4'-P energy: -41.334
bonds (distance) P-C4' energy: -53.694
flat angles C4'-P-C4' energy: -57.216
flat angles P-C4'-P energy: -45.432
tors. eta vs tors. theta energy: -44.456
Dist. restrs. and SS energy: 3.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1259.062164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.062164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.949809 (E_RNA)
where:
Base-Base interactions energy: -879.612
where: short stacking energy: -356.663
Base-Backbone interact. energy: -4.168
local terms energy: -380.169942
where:
bonds (distance) C4'-P energy: -67.265
bonds (distance) P-C4' energy: -70.072
flat angles C4'-P-C4' energy: -79.837
flat angles P-C4'-P energy: -58.465
tors. eta vs tors. theta energy: -104.532
Dist. restrs. and SS energy: 4.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1196.695929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.695929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.463289 (E_RNA)
where:
Base-Base interactions energy: -838.586
where: short stacking energy: -349.341
Base-Backbone interact. energy: 0.139
local terms energy: -362.016665
where:
bonds (distance) C4'-P energy: -62.410
bonds (distance) P-C4' energy: -73.900
flat angles C4'-P-C4' energy: -69.189
flat angles P-C4'-P energy: -57.459
tors. eta vs tors. theta energy: -99.058
Dist. restrs. and SS energy: 3.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1123.177148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.177148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.501258 (E_RNA)
where:
Base-Base interactions energy: -783.072
where: short stacking energy: -310.833
Base-Backbone interact. energy: -4.649
local terms energy: -341.780075
where:
bonds (distance) C4'-P energy: -66.609
bonds (distance) P-C4' energy: -66.702
flat angles C4'-P-C4' energy: -66.654
flat angles P-C4'-P energy: -57.966
tors. eta vs tors. theta energy: -83.849
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: 7
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1124.151264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.151264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.528701 (E_RNA)
where:
Base-Base interactions energy: -774.165
where: short stacking energy: -324.360
Base-Backbone interact. energy: -1.451
local terms energy: -352.912678
where:
bonds (distance) C4'-P energy: -60.825
bonds (distance) P-C4' energy: -69.808
flat angles C4'-P-C4' energy: -75.836
flat angles P-C4'-P energy: -49.412
tors. eta vs tors. theta energy: -97.032
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: 5, replica: 10
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1026.876648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.876648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.275505 (E_RNA)
where:
Base-Base interactions energy: -711.185
where: short stacking energy: -276.468
Base-Backbone interact. energy: 0.333
local terms energy: -321.424045
where:
bonds (distance) C4'-P energy: -59.346
bonds (distance) P-C4' energy: -69.502
flat angles C4'-P-C4' energy: -64.831
flat angles P-C4'-P energy: -49.477
tors. eta vs tors. theta energy: -78.269
Dist. restrs. and SS energy: 5.399 (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: 2
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -987.668464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.668464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.047634 (E_RNA)
where:
Base-Base interactions energy: -688.515
where: short stacking energy: -267.213
Base-Backbone interact. energy: -1.459
local terms energy: -301.073072
where:
bonds (distance) C4'-P energy: -60.733
bonds (distance) P-C4' energy: -64.303
flat angles C4'-P-C4' energy: -65.321
flat angles P-C4'-P energy: -48.866
tors. eta vs tors. theta energy: -61.849
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: 7, replica: 4
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -993.700060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.700060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.106939 (E_RNA)
where:
Base-Base interactions energy: -709.753
where: short stacking energy: -259.548
Base-Backbone interact. energy: -0.325
local terms energy: -289.028657
where:
bonds (distance) C4'-P energy: -52.387
bonds (distance) P-C4' energy: -61.268
flat angles C4'-P-C4' energy: -64.686
flat angles P-C4'-P energy: -42.052
tors. eta vs tors. theta energy: -68.635
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: 3
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -960.534022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.534022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.949086 (E_RNA)
where:
Base-Base interactions energy: -674.979
where: short stacking energy: -261.009
Base-Backbone interact. energy: 4.394
local terms energy: -292.363905
where:
bonds (distance) C4'-P energy: -44.971
bonds (distance) P-C4' energy: -61.853
flat angles C4'-P-C4' energy: -65.390
flat angles P-C4'-P energy: -46.679
tors. eta vs tors. theta energy: -73.471
Dist. restrs. and SS energy: 2.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -929.742320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.742320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.485707 (E_RNA)
where:
Base-Base interactions energy: -674.646
where: short stacking energy: -290.475
Base-Backbone interact. energy: -0.747
local terms energy: -265.092909
where:
bonds (distance) C4'-P energy: -38.595
bonds (distance) P-C4' energy: -45.259
flat angles C4'-P-C4' energy: -62.189
flat angles P-C4'-P energy: -46.038
tors. eta vs tors. theta energy: -73.012
Dist. restrs. and SS energy: 10.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -803.182707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.182707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.199060 (E_RNA)
where:
Base-Base interactions energy: -569.907
where: short stacking energy: -224.724
Base-Backbone interact. energy: 0.697
local terms energy: -239.988354
where:
bonds (distance) C4'-P energy: -59.507
bonds (distance) P-C4' energy: -54.191
flat angles C4'-P-C4' energy: -51.167
flat angles P-C4'-P energy: -36.054
tors. eta vs tors. theta energy: -39.070
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: 1, replica: 8
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1262.532887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.532887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.246166 (E_RNA)
where:
Base-Base interactions energy: -883.425
where: short stacking energy: -366.557
Base-Backbone interact. energy: -0.840
local terms energy: -382.980839
where:
bonds (distance) C4'-P energy: -71.755
bonds (distance) P-C4' energy: -68.855
flat angles C4'-P-C4' energy: -79.840
flat angles P-C4'-P energy: -53.373
tors. eta vs tors. theta energy: -109.157
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: 5
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1185.994592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.994592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.855593 (E_RNA)
where:
Base-Base interactions energy: -831.182
where: short stacking energy: -337.375
Base-Backbone interact. energy: -1.772
local terms energy: -356.901118
where:
bonds (distance) C4'-P energy: -71.613
bonds (distance) P-C4' energy: -60.460
flat angles C4'-P-C4' energy: -73.259
flat angles P-C4'-P energy: -55.365
tors. eta vs tors. theta energy: -96.203
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: 3, replica: 7
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1141.847953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.847953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.521735 (E_RNA)
where:
Base-Base interactions energy: -790.038
where: short stacking energy: -329.419
Base-Backbone interact. energy: 1.993
local terms energy: -357.476146
where:
bonds (distance) C4'-P energy: -73.231
bonds (distance) P-C4' energy: -70.067
flat angles C4'-P-C4' energy: -79.941
flat angles P-C4'-P energy: -49.922
tors. eta vs tors. theta energy: -84.315
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: 4, replica: 9
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1131.531644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.531644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.227566 (E_RNA)
where:
Base-Base interactions energy: -806.896
where: short stacking energy: -308.385
Base-Backbone interact. energy: -2.383
local terms energy: -330.949339
where:
bonds (distance) C4'-P energy: -64.082
bonds (distance) P-C4' energy: -62.973
flat angles C4'-P-C4' energy: -68.012
flat angles P-C4'-P energy: -47.611
tors. eta vs tors. theta energy: -88.271
Dist. restrs. and SS energy: 8.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1059.423054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.423054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.438556 (E_RNA)
where:
Base-Base interactions energy: -741.937
where: short stacking energy: -292.170
Base-Backbone interact. energy: -1.763
local terms energy: -318.738373
where:
bonds (distance) C4'-P energy: -62.901
bonds (distance) P-C4' energy: -53.076
flat angles C4'-P-C4' energy: -76.079
flat angles P-C4'-P energy: -44.169
tors. eta vs tors. theta energy: -82.513
Dist. restrs. and SS energy: 3.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -994.047190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.047190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.583024 (E_RNA)
where:
Base-Base interactions energy: -693.532
where: short stacking energy: -278.945
Base-Backbone interact. energy: -4.332
local terms energy: -301.719071
where:
bonds (distance) C4'-P energy: -48.424
bonds (distance) P-C4' energy: -67.176
flat angles C4'-P-C4' energy: -71.297
flat angles P-C4'-P energy: -39.888
tors. eta vs tors. theta energy: -74.934
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: 7, replica: 4
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -977.581273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.581273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.936253 (E_RNA)
where:
Base-Base interactions energy: -670.268
where: short stacking energy: -275.889
Base-Backbone interact. energy: -1.020
local terms energy: -309.648443
where:
bonds (distance) C4'-P energy: -66.630
bonds (distance) P-C4' energy: -67.873
flat angles C4'-P-C4' energy: -65.091
flat angles P-C4'-P energy: -46.665
tors. eta vs tors. theta energy: -63.388
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: 3
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -974.140333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.140333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.160849 (E_RNA)
where:
Base-Base interactions energy: -689.005
where: short stacking energy: -272.411
Base-Backbone interact. energy: -2.254
local terms energy: -287.901690
where:
bonds (distance) C4'-P energy: -59.107
bonds (distance) P-C4' energy: -55.374
flat angles C4'-P-C4' energy: -60.109
flat angles P-C4'-P energy: -40.516
tors. eta vs tors. theta energy: -72.795
Dist. restrs. and SS energy: 5.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -924.504880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.504880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.147522 (E_RNA)
where:
Base-Base interactions energy: -651.843
where: short stacking energy: -249.076
Base-Backbone interact. energy: -2.350
local terms energy: -274.954071
where:
bonds (distance) C4'-P energy: -48.488
bonds (distance) P-C4' energy: -68.851
flat angles C4'-P-C4' energy: -50.244
flat angles P-C4'-P energy: -41.111
tors. eta vs tors. theta energy: -66.261
Dist. restrs. and SS energy: 4.643 (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: 6
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -825.377870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.377870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.080171 (E_RNA)
where:
Base-Base interactions energy: -561.549
where: short stacking energy: -216.677
Base-Backbone interact. energy: -1.900
local terms energy: -268.632099
where:
bonds (distance) C4'-P energy: -47.884
bonds (distance) P-C4' energy: -60.648
flat angles C4'-P-C4' energy: -53.317
flat angles P-C4'-P energy: -44.597
tors. eta vs tors. theta energy: -62.186
Dist. restrs. and SS energy: 6.702 (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: 8
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1235.670401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.670401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.716440 (E_RNA)
where:
Base-Base interactions energy: -847.677
where: short stacking energy: -344.933
Base-Backbone interact. energy: -2.098
local terms energy: -388.941248
where:
bonds (distance) C4'-P energy: -71.563
bonds (distance) P-C4' energy: -73.245
flat angles C4'-P-C4' energy: -82.212
flat angles P-C4'-P energy: -56.981
tors. eta vs tors. theta energy: -104.941
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: 7
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1179.640883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.640883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.149455 (E_RNA)
where:
Base-Base interactions energy: -819.463
where: short stacking energy: -344.784
Base-Backbone interact. energy: -1.658
local terms energy: -362.028498
where:
bonds (distance) C4'-P energy: -58.776
bonds (distance) P-C4' energy: -75.060
flat angles C4'-P-C4' energy: -80.719
flat angles P-C4'-P energy: -49.659
tors. eta vs tors. theta energy: -97.815
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: 3, replica: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1173.112625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.112625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.745513 (E_RNA)
where:
Base-Base interactions energy: -816.455
where: short stacking energy: -323.397
Base-Backbone interact. energy: -3.658
local terms energy: -356.632006
where:
bonds (distance) C4'-P energy: -77.061
bonds (distance) P-C4' energy: -63.478
flat angles C4'-P-C4' energy: -73.977
flat angles P-C4'-P energy: -46.927
tors. eta vs tors. theta energy: -95.189
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: 4, replica: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1126.693113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.693113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.093513 (E_RNA)
where:
Base-Base interactions energy: -786.536
where: short stacking energy: -320.303
Base-Backbone interact. energy: -3.580
local terms energy: -342.977683
where:
bonds (distance) C4'-P energy: -55.888
bonds (distance) P-C4' energy: -72.127
flat angles C4'-P-C4' energy: -77.203
flat angles P-C4'-P energy: -52.848
tors. eta vs tors. theta energy: -84.911
Dist. restrs. and SS energy: 6.400 (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: 10
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1054.200739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.200739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.843461 (E_RNA)
where:
Base-Base interactions energy: -724.877
where: short stacking energy: -303.025
Base-Backbone interact. energy: 1.596
local terms energy: -333.562507
where:
bonds (distance) C4'-P energy: -59.238
bonds (distance) P-C4' energy: -58.661
flat angles C4'-P-C4' energy: -77.383
flat angles P-C4'-P energy: -52.519
tors. eta vs tors. theta energy: -85.762
Dist. restrs. and SS energy: 2.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1045.427924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.427924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.779527 (E_RNA)
where:
Base-Base interactions energy: -714.790
where: short stacking energy: -285.976
Base-Backbone interact. energy: -3.214
local terms energy: -330.775957
where:
bonds (distance) C4'-P energy: -57.617
bonds (distance) P-C4' energy: -71.664
flat angles C4'-P-C4' energy: -71.660
flat angles P-C4'-P energy: -54.092
tors. eta vs tors. theta energy: -75.743
Dist. restrs. and SS energy: 3.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -968.762514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.762514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.023997 (E_RNA)
where:
Base-Base interactions energy: -669.548
where: short stacking energy: -258.810
Base-Backbone interact. energy: -2.014
local terms energy: -299.462103
where:
bonds (distance) C4'-P energy: -57.220
bonds (distance) P-C4' energy: -69.271
flat angles C4'-P-C4' energy: -69.821
flat angles P-C4'-P energy: -41.054
tors. eta vs tors. theta energy: -62.095
Dist. restrs. and SS energy: 2.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -961.022428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.022428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.226733 (E_RNA)
where:
Base-Base interactions energy: -683.890
where: short stacking energy: -262.472
Base-Backbone interact. energy: -1.530
local terms energy: -283.807256
where:
bonds (distance) C4'-P energy: -46.367
bonds (distance) P-C4' energy: -71.511
flat angles C4'-P-C4' energy: -59.269
flat angles P-C4'-P energy: -42.492
tors. eta vs tors. theta energy: -64.168
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: 9, replica: 1
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -927.481935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.481935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.918132 (E_RNA)
where:
Base-Base interactions energy: -658.568
where: short stacking energy: -258.124
Base-Backbone interact. energy: -0.495
local terms energy: -273.855248
where:
bonds (distance) C4'-P energy: -50.119
bonds (distance) P-C4' energy: -52.157
flat angles C4'-P-C4' energy: -72.192
flat angles P-C4'-P energy: -43.110
tors. eta vs tors. theta energy: -56.278
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: 10, replica: 6
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -841.349215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.349215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.466154 (E_RNA)
where:
Base-Base interactions energy: -604.378
where: short stacking energy: -230.145
Base-Backbone interact. energy: -2.117
local terms energy: -240.971796
where:
bonds (distance) C4'-P energy: -42.965
bonds (distance) P-C4' energy: -54.698
flat angles C4'-P-C4' energy: -62.328
flat angles P-C4'-P energy: -29.537
tors. eta vs tors. theta energy: -51.443
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: 1, replica: 8
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1238.954116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.954116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.372415 (E_RNA)
where:
Base-Base interactions energy: -849.121
where: short stacking energy: -370.817
Base-Backbone interact. energy: 0.162
local terms energy: -393.413369
where:
bonds (distance) C4'-P energy: -77.453
bonds (distance) P-C4' energy: -68.931
flat angles C4'-P-C4' energy: -81.642
flat angles P-C4'-P energy: -58.499
tors. eta vs tors. theta energy: -106.888
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: 2, replica: 7
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1175.311637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.311637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.859513 (E_RNA)
where:
Base-Base interactions energy: -837.533
where: short stacking energy: -332.906
Base-Backbone interact. energy: -3.488
local terms energy: -339.838468
where:
bonds (distance) C4'-P energy: -46.198
bonds (distance) P-C4' energy: -70.333
flat angles C4'-P-C4' energy: -75.123
flat angles P-C4'-P energy: -53.829
tors. eta vs tors. theta energy: -94.356
Dist. restrs. and SS energy: 5.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1145.419559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.419559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.794258 (E_RNA)
where:
Base-Base interactions energy: -805.452
where: short stacking energy: -331.574
Base-Backbone interact. energy: -2.475
local terms energy: -344.866991
where:
bonds (distance) C4'-P energy: -66.718
bonds (distance) P-C4' energy: -60.767
flat angles C4'-P-C4' energy: -71.276
flat angles P-C4'-P energy: -55.947
tors. eta vs tors. theta energy: -90.158
Dist. restrs. and SS energy: 7.375 (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: 48
Temperature: 1.050000
Total energy: -1115.491463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.491463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.343234 (E_RNA)
where:
Base-Base interactions energy: -779.994
where: short stacking energy: -315.234
Base-Backbone interact. energy: -1.294
local terms energy: -338.054840
where:
bonds (distance) C4'-P energy: -59.201
bonds (distance) P-C4' energy: -61.085
flat angles C4'-P-C4' energy: -75.444
flat angles P-C4'-P energy: -51.072
tors. eta vs tors. theta energy: -91.253
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: 5, replica: 4
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1098.915322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.915322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.953386 (E_RNA)
where:
Base-Base interactions energy: -785.264
where: short stacking energy: -323.769
Base-Backbone interact. energy: 0.604
local terms energy: -318.293355
where:
bonds (distance) C4'-P energy: -56.063
bonds (distance) P-C4' energy: -59.797
flat angles C4'-P-C4' energy: -71.742
flat angles P-C4'-P energy: -43.683
tors. eta vs tors. theta energy: -87.009
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: 6, replica: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1040.012589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.012589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.442543 (E_RNA)
where:
Base-Base interactions energy: -728.210
where: short stacking energy: -309.680
Base-Backbone interact. energy: 0.482
local terms energy: -317.714268
where:
bonds (distance) C4'-P energy: -47.733
bonds (distance) P-C4' energy: -68.607
flat angles C4'-P-C4' energy: -70.459
flat angles P-C4'-P energy: -46.530
tors. eta vs tors. theta energy: -84.385
Dist. restrs. and SS energy: 5.430 (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: 48
Temperature: 1.200000
Total energy: -956.463648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.463648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.611132 (E_RNA)
where:
Base-Base interactions energy: -650.909
where: short stacking energy: -261.109
Base-Backbone interact. energy: -0.296
local terms energy: -309.406263
where:
bonds (distance) C4'-P energy: -52.259
bonds (distance) P-C4' energy: -65.168
flat angles C4'-P-C4' energy: -77.562
flat angles P-C4'-P energy: -47.577
tors. eta vs tors. theta energy: -66.839
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: 8, replica: 2
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -977.188805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.188805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.041464 (E_RNA)
where:
Base-Base interactions energy: -686.806
where: short stacking energy: -264.700
Base-Backbone interact. energy: -0.194
local terms energy: -295.041725
where:
bonds (distance) C4'-P energy: -51.039
bonds (distance) P-C4' energy: -55.749
flat angles C4'-P-C4' energy: -69.479
flat angles P-C4'-P energy: -49.639
tors. eta vs tors. theta energy: -69.135
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: 9, replica: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -904.021674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.021674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.160133 (E_RNA)
where:
Base-Base interactions energy: -632.659
where: short stacking energy: -239.421
Base-Backbone interact. energy: -1.146
local terms energy: -278.355208
where:
bonds (distance) C4'-P energy: -41.892
bonds (distance) P-C4' energy: -68.814
flat angles C4'-P-C4' energy: -67.086
flat angles P-C4'-P energy: -34.669
tors. eta vs tors. theta energy: -65.894
Dist. restrs. and SS energy: 8.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -911.140974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.140974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.363309 (E_RNA)
where:
Base-Base interactions energy: -630.873
where: short stacking energy: -271.443
Base-Backbone interact. energy: -1.817
local terms energy: -284.673120
where:
bonds (distance) C4'-P energy: -52.118
bonds (distance) P-C4' energy: -47.369
flat angles C4'-P-C4' energy: -72.996
flat angles P-C4'-P energy: -41.040
tors. eta vs tors. theta energy: -71.149
Dist. restrs. and SS energy: 6.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1250.607522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.607522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.647906 (E_RNA)
where:
Base-Base interactions energy: -874.902
where: short stacking energy: -373.415
Base-Backbone interact. energy: -1.468
local terms energy: -378.277291
where:
bonds (distance) C4'-P energy: -61.349
bonds (distance) P-C4' energy: -64.113
flat angles C4'-P-C4' energy: -86.566
flat angles P-C4'-P energy: -59.568
tors. eta vs tors. theta energy: -106.682
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: 7
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1183.358959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.358959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.893507 (E_RNA)
where:
Base-Base interactions energy: -821.596
where: short stacking energy: -347.538
Base-Backbone interact. energy: 0.315
local terms energy: -365.612465
where:
bonds (distance) C4'-P energy: -62.615
bonds (distance) P-C4' energy: -72.461
flat angles C4'-P-C4' energy: -76.899
flat angles P-C4'-P energy: -51.289
tors. eta vs tors. theta energy: -102.348
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: 9
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1157.874279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.874279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.689633 (E_RNA)
where:
Base-Base interactions energy: -800.730
where: short stacking energy: -342.122
Base-Backbone interact. energy: -2.604
local terms energy: -361.355168
where:
bonds (distance) C4'-P energy: -62.809
bonds (distance) P-C4' energy: -66.469
flat angles C4'-P-C4' energy: -81.998
flat angles P-C4'-P energy: -51.687
tors. eta vs tors. theta energy: -98.391
Dist. restrs. and SS energy: 6.815 (S_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: 49
Temperature: 1.050000
Total energy: -1109.292808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.292808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.704545 (E_RNA)
where:
Base-Base interactions energy: -771.914
where: short stacking energy: -320.096
Base-Backbone interact. energy: -3.247
local terms energy: -338.544047
where:
bonds (distance) C4'-P energy: -62.644
bonds (distance) P-C4' energy: -63.373
flat angles C4'-P-C4' energy: -78.642
flat angles P-C4'-P energy: -48.136
tors. eta vs tors. theta energy: -85.749
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: 5, replica: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1095.487940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.487940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.972171 (E_RNA)
where:
Base-Base interactions energy: -771.958
where: short stacking energy: -301.991
Base-Backbone interact. energy: -1.941
local terms energy: -326.073598
where:
bonds (distance) C4'-P energy: -59.587
bonds (distance) P-C4' energy: -62.480
flat angles C4'-P-C4' energy: -66.498
flat angles P-C4'-P energy: -50.565
tors. eta vs tors. theta energy: -86.943
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: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1044.739070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.739070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.645173 (E_RNA)
where:
Base-Base interactions energy: -734.409
where: short stacking energy: -300.897
Base-Backbone interact. energy: -1.855
local terms energy: -312.380583
where:
bonds (distance) C4'-P energy: -62.416
bonds (distance) P-C4' energy: -66.707
flat angles C4'-P-C4' energy: -64.734
flat angles P-C4'-P energy: -42.853
tors. eta vs tors. theta energy: -75.670
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: 7, replica: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1034.798049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.798049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.643130 (E_RNA)
where:
Base-Base interactions energy: -729.807
where: short stacking energy: -289.692
Base-Backbone interact. energy: 1.697
local terms energy: -309.533278
where:
bonds (distance) C4'-P energy: -60.572
bonds (distance) P-C4' energy: -62.946
flat angles C4'-P-C4' energy: -64.997
flat angles P-C4'-P energy: -37.720
tors. eta vs tors. theta energy: -83.297
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: 2
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -987.395812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.395812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.198121 (E_RNA)
where:
Base-Base interactions energy: -708.888
where: short stacking energy: -294.267
Base-Backbone interact. energy: -1.215
local terms energy: -281.095299
where:
bonds (distance) C4'-P energy: -60.356
bonds (distance) P-C4' energy: -56.929
flat angles C4'-P-C4' energy: -63.993
flat angles P-C4'-P energy: -31.267
tors. eta vs tors. theta energy: -68.552
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: 9, replica: 6
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -897.957126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.957126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.922338 (E_RNA)
where:
Base-Base interactions energy: -622.077
where: short stacking energy: -243.886
Base-Backbone interact. energy: 1.654
local terms energy: -283.499184
where:
bonds (distance) C4'-P energy: -61.384
bonds (distance) P-C4' energy: -62.630
flat angles C4'-P-C4' energy: -61.436
flat angles P-C4'-P energy: -40.580
tors. eta vs tors. theta energy: -57.469
Dist. restrs. and SS energy: 5.965 (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: 49
Temperature: 1.350000
Total energy: -909.501204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.501204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.730043 (E_RNA)
where:
Base-Base interactions energy: -639.962
where: short stacking energy: -253.824
Base-Backbone interact. energy: -2.025
local terms energy: -271.742764
where:
bonds (distance) C4'-P energy: -49.230
bonds (distance) P-C4' energy: -59.180
flat angles C4'-P-C4' energy: -59.488
flat angles P-C4'-P energy: -34.743
tors. eta vs tors. theta energy: -69.102
Dist. restrs. and SS energy: 4.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1254.802788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.802788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.215703 (E_RNA)
where:
Base-Base interactions energy: -880.887
where: short stacking energy: -353.435
Base-Backbone interact. energy: -1.981
local terms energy: -376.347672
where:
bonds (distance) C4'-P energy: -67.477
bonds (distance) P-C4' energy: -68.182
flat angles C4'-P-C4' energy: -75.457
flat angles P-C4'-P energy: -57.567
tors. eta vs tors. theta energy: -107.665
Dist. restrs. and SS energy: 4.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1168.505817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.505817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.702351 (E_RNA)
where:
Base-Base interactions energy: -805.084
where: short stacking energy: -327.926
Base-Backbone interact. energy: -1.681
local terms energy: -366.937872
where:
bonds (distance) C4'-P energy: -68.825
bonds (distance) P-C4' energy: -76.038
flat angles C4'-P-C4' energy: -75.130
flat angles P-C4'-P energy: -55.899
tors. eta vs tors. theta energy: -91.046
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: 3, replica: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1141.918019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.918019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.659337 (E_RNA)
where:
Base-Base interactions energy: -793.534
where: short stacking energy: -324.195
Base-Backbone interact. energy: -2.351
local terms energy: -349.775041
where:
bonds (distance) C4'-P energy: -70.422
bonds (distance) P-C4' energy: -74.668
flat angles C4'-P-C4' energy: -72.318
flat angles P-C4'-P energy: -48.536
tors. eta vs tors. theta energy: -83.831
Dist. restrs. and SS energy: 3.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1124.005812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.005812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.507131 (E_RNA)
where:
Base-Base interactions energy: -795.271
where: short stacking energy: -318.311
Base-Backbone interact. energy: -2.849
local terms energy: -334.387367
where:
bonds (distance) C4'-P energy: -61.928
bonds (distance) P-C4' energy: -58.816
flat angles C4'-P-C4' energy: -74.796
flat angles P-C4'-P energy: -43.976
tors. eta vs tors. theta energy: -94.871
Dist. restrs. and SS energy: 8.501 (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: 10
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1072.281832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.281832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.806885 (E_RNA)
where:
Base-Base interactions energy: -761.454
where: short stacking energy: -297.571
Base-Backbone interact. energy: -1.683
local terms energy: -313.670292
where:
bonds (distance) C4'-P energy: -57.679
bonds (distance) P-C4' energy: -60.653
flat angles C4'-P-C4' energy: -63.958
flat angles P-C4'-P energy: -56.206
tors. eta vs tors. theta energy: -75.175
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: 6, replica: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1047.244796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.244796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.763156 (E_RNA)
where:
Base-Base interactions energy: -734.887
where: short stacking energy: -281.541
Base-Backbone interact. energy: 0.225
local terms energy: -317.101043
where:
bonds (distance) C4'-P energy: -72.921
bonds (distance) P-C4' energy: -54.587
flat angles C4'-P-C4' energy: -66.383
flat angles P-C4'-P energy: -50.665
tors. eta vs tors. theta energy: -72.545
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: 7, replica: 3
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1039.438905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.438905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.165230 (E_RNA)
where:
Base-Base interactions energy: -717.145
where: short stacking energy: -288.272
Base-Backbone interact. energy: -0.934
local terms energy: -322.085817
where:
bonds (distance) C4'-P energy: -61.429
bonds (distance) P-C4' energy: -58.297
flat angles C4'-P-C4' energy: -70.689
flat angles P-C4'-P energy: -50.422
tors. eta vs tors. theta energy: -81.250
Dist. restrs. and SS energy: 0.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -929.961115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.961115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.937677 (E_RNA)
where:
Base-Base interactions energy: -629.150
where: short stacking energy: -242.240
Base-Backbone interact. energy: 6.263
local terms energy: -309.051171
where:
bonds (distance) C4'-P energy: -63.838
bonds (distance) P-C4' energy: -74.711
flat angles C4'-P-C4' energy: -59.257
flat angles P-C4'-P energy: -48.837
tors. eta vs tors. theta energy: -62.408
Dist. restrs. and SS energy: 1.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -859.481776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.481776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.727423 (E_RNA)
where:
Base-Base interactions energy: -608.855
where: short stacking energy: -238.716
Base-Backbone interact. energy: -1.749
local terms energy: -257.124067
where:
bonds (distance) C4'-P energy: -51.312
bonds (distance) P-C4' energy: -45.274
flat angles C4'-P-C4' energy: -62.023
flat angles P-C4'-P energy: -41.093
tors. eta vs tors. theta energy: -57.423
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: 10, replica: 1
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -904.964331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.964331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.060259 (E_RNA)
where:
Base-Base interactions energy: -635.395
where: short stacking energy: -251.926
Base-Backbone interact. energy: -0.859
local terms energy: -272.806924
where:
bonds (distance) C4'-P energy: -62.513
bonds (distance) P-C4' energy: -46.115
flat angles C4'-P-C4' energy: -58.571
flat angles P-C4'-P energy: -40.578
tors. eta vs tors. theta energy: -65.030
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: 1, replica: 8
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1248.401567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.401567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.712457 (E_RNA)
where:
Base-Base interactions energy: -878.234
where: short stacking energy: -365.366
Base-Backbone interact. energy: 0.269
local terms energy: -373.747573
where:
bonds (distance) C4'-P energy: -67.611
bonds (distance) P-C4' energy: -65.976
flat angles C4'-P-C4' energy: -80.295
flat angles P-C4'-P energy: -52.003
tors. eta vs tors. theta energy: -107.863
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: 7
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1185.488120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.488120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.745635 (E_RNA)
where:
Base-Base interactions energy: -833.081
where: short stacking energy: -341.725
Base-Backbone interact. energy: -2.109
local terms energy: -354.554761
where:
bonds (distance) C4'-P energy: -66.036
bonds (distance) P-C4' energy: -70.418
flat angles C4'-P-C4' energy: -73.492
flat angles P-C4'-P energy: -52.000
tors. eta vs tors. theta energy: -92.609
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: 3, replica: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1132.941529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.941529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.457874 (E_RNA)
where:
Base-Base interactions energy: -789.400
where: short stacking energy: -320.388
Base-Backbone interact. energy: -1.601
local terms energy: -346.457031
where:
bonds (distance) C4'-P energy: -58.428
bonds (distance) P-C4' energy: -72.061
flat angles C4'-P-C4' energy: -68.180
flat angles P-C4'-P energy: -59.717
tors. eta vs tors. theta energy: -88.070
Dist. restrs. and SS energy: 4.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1102.275432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.275432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.724719 (E_RNA)
where:
Base-Base interactions energy: -749.249
where: short stacking energy: -299.244
Base-Backbone interact. energy: -1.382
local terms energy: -355.094407
where:
bonds (distance) C4'-P energy: -74.355
bonds (distance) P-C4' energy: -70.040
flat angles C4'-P-C4' energy: -70.481
flat angles P-C4'-P energy: -55.019
tors. eta vs tors. theta energy: -85.199
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: 5, replica: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1054.149146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.149146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.756195 (E_RNA)
where:
Base-Base interactions energy: -726.389
where: short stacking energy: -284.246
Base-Backbone interact. energy: -1.408
local terms energy: -330.958311
where:
bonds (distance) C4'-P energy: -60.275
bonds (distance) P-C4' energy: -70.647
flat angles C4'-P-C4' energy: -70.829
flat angles P-C4'-P energy: -57.371
tors. eta vs tors. theta energy: -71.836
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: 6, replica: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1020.953386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.953386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.020915 (E_RNA)
where:
Base-Base interactions energy: -712.793
where: short stacking energy: -280.094
Base-Backbone interact. energy: -0.151
local terms energy: -313.076357
where:
bonds (distance) C4'-P energy: -54.848
bonds (distance) P-C4' energy: -57.136
flat angles C4'-P-C4' energy: -71.443
flat angles P-C4'-P energy: -61.759
tors. eta vs tors. theta energy: -67.890
Dist. restrs. and SS energy: 5.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1029.645885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.645885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.050174 (E_RNA)
where:
Base-Base interactions energy: -719.057
where: short stacking energy: -289.034
Base-Backbone interact. energy: 2.834
local terms energy: -314.827737
where:
bonds (distance) C4'-P energy: -60.810
bonds (distance) P-C4' energy: -58.509
flat angles C4'-P-C4' energy: -79.601
flat angles P-C4'-P energy: -34.219
tors. eta vs tors. theta energy: -81.689
Dist. restrs. and SS energy: 1.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -955.018354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.018354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.776680 (E_RNA)
where:
Base-Base interactions energy: -675.810
where: short stacking energy: -275.859
Base-Backbone interact. energy: -0.031
local terms energy: -283.935652
where:
bonds (distance) C4'-P energy: -53.933
bonds (distance) P-C4' energy: -61.186
flat angles C4'-P-C4' energy: -57.986
flat angles P-C4'-P energy: -39.726
tors. eta vs tors. theta energy: -71.105
Dist. restrs. and SS energy: 4.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -865.482909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.482909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.285728 (E_RNA)
where:
Base-Base interactions energy: -599.896
where: short stacking energy: -239.567
Base-Backbone interact. energy: -1.266
local terms energy: -275.123775
where:
bonds (distance) C4'-P energy: -46.403
bonds (distance) P-C4' energy: -65.329
flat angles C4'-P-C4' energy: -71.984
flat angles P-C4'-P energy: -41.680
tors. eta vs tors. theta energy: -49.728
Dist. restrs. and SS energy: 10.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -903.165302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.165302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.915553 (E_RNA)
where:
Base-Base interactions energy: -612.140
where: short stacking energy: -253.309
Base-Backbone interact. energy: 1.796
local terms energy: -296.571644
where:
bonds (distance) C4'-P energy: -62.799
bonds (distance) P-C4' energy: -54.846
flat angles C4'-P-C4' energy: -57.704
flat angles P-C4'-P energy: -51.544
tors. eta vs tors. theta energy: -69.679
Dist. restrs. and SS energy: 3.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1266.447210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.447210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.758990 (E_RNA)
where:
Base-Base interactions energy: -893.140
where: short stacking energy: -382.732
Base-Backbone interact. energy: 0.502
local terms energy: -377.120842
where:
bonds (distance) C4'-P energy: -63.572
bonds (distance) P-C4' energy: -71.228
flat angles C4'-P-C4' energy: -74.373
flat angles P-C4'-P energy: -56.449
tors. eta vs tors. theta energy: -111.499
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: 2, replica: 7
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1183.908316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.908316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.935862 (E_RNA)
where:
Base-Base interactions energy: -828.575
where: short stacking energy: -327.942
Base-Backbone interact. energy: -0.118
local terms energy: -359.243305
where:
bonds (distance) C4'-P energy: -66.523
bonds (distance) P-C4' energy: -73.930
flat angles C4'-P-C4' energy: -66.916
flat angles P-C4'-P energy: -56.391
tors. eta vs tors. theta energy: -95.483
Dist. restrs. and SS energy: 4.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1111.702162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.702162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.875945 (E_RNA)
where:
Base-Base interactions energy: -764.879
where: short stacking energy: -314.804
Base-Backbone interact. energy: -2.624
local terms energy: -349.372230
where:
bonds (distance) C4'-P energy: -73.442
bonds (distance) P-C4' energy: -64.233
flat angles C4'-P-C4' energy: -76.164
flat angles P-C4'-P energy: -53.193
tors. eta vs tors. theta energy: -82.340
Dist. restrs. and SS energy: 5.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1120.998842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.998842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.615582 (E_RNA)
where:
Base-Base interactions energy: -768.889
where: short stacking energy: -335.479
Base-Backbone interact. energy: -2.355
local terms energy: -353.371002
where:
bonds (distance) C4'-P energy: -61.825
bonds (distance) P-C4' energy: -69.638
flat angles C4'-P-C4' energy: -78.763
flat angles P-C4'-P energy: -45.130
tors. eta vs tors. theta energy: -98.015
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: 5, replica: 10
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1059.514778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.514778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.263576 (E_RNA)
where:
Base-Base interactions energy: -738.078
where: short stacking energy: -301.643
Base-Backbone interact. energy: -1.835
local terms energy: -323.350091
where:
bonds (distance) C4'-P energy: -68.042
bonds (distance) P-C4' energy: -63.427
flat angles C4'-P-C4' energy: -62.256
flat angles P-C4'-P energy: -48.721
tors. eta vs tors. theta energy: -80.905
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: 6, replica: 5
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1054.736855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.736855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.510622 (E_RNA)
where:
Base-Base interactions energy: -733.654
where: short stacking energy: -286.109
Base-Backbone interact. energy: -1.407
local terms energy: -324.450233
where:
bonds (distance) C4'-P energy: -56.538
bonds (distance) P-C4' energy: -70.838
flat angles C4'-P-C4' energy: -74.032
flat angles P-C4'-P energy: -52.649
tors. eta vs tors. theta energy: -70.393
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: 7, replica: 2
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1027.095441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.095441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.137140 (E_RNA)
where:
Base-Base interactions energy: -730.875
where: short stacking energy: -306.797
Base-Backbone interact. energy: -1.762
local terms energy: -296.499861
where:
bonds (distance) C4'-P energy: -62.163
bonds (distance) P-C4' energy: -59.849
flat angles C4'-P-C4' energy: -55.963
flat angles P-C4'-P energy: -38.334
tors. eta vs tors. theta energy: -80.191
Dist. restrs. and SS energy: 2.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -963.586110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.586110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.502922 (E_RNA)
where:
Base-Base interactions energy: -679.760
where: short stacking energy: -272.247
Base-Backbone interact. energy: -3.257
local terms energy: -284.486047
where:
bonds (distance) C4'-P energy: -51.462
bonds (distance) P-C4' energy: -58.187
flat angles C4'-P-C4' energy: -67.023
flat angles P-C4'-P energy: -36.159
tors. eta vs tors. theta energy: -71.654
Dist. restrs. and SS energy: 3.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -941.354578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.354578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.539406 (E_RNA)
where:
Base-Base interactions energy: -672.447
where: short stacking energy: -265.269
Base-Backbone interact. energy: -1.488
local terms energy: -271.604287
where:
bonds (distance) C4'-P energy: -51.226
bonds (distance) P-C4' energy: -66.532
flat angles C4'-P-C4' energy: -49.958
flat angles P-C4'-P energy: -35.721
tors. eta vs tors. theta energy: -68.167
Dist. restrs. and SS energy: 4.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -843.521593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.521593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.166971 (E_RNA)
where:
Base-Base interactions energy: -624.411
where: short stacking energy: -248.253
Base-Backbone interact. energy: 1.076
local terms energy: -236.832265
where:
bonds (distance) C4'-P energy: -35.482
bonds (distance) P-C4' energy: -44.014
flat angles C4'-P-C4' energy: -53.490
flat angles P-C4'-P energy: -43.210
tors. eta vs tors. theta energy: -60.637
Dist. restrs. and SS energy: 16.645 (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: 8
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1259.503320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.503320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.058223 (E_RNA)
where:
Base-Base interactions energy: -873.470
where: short stacking energy: -359.731
Base-Backbone interact. energy: 2.785
local terms energy: -392.373763
where:
bonds (distance) C4'-P energy: -70.445
bonds (distance) P-C4' energy: -72.496
flat angles C4'-P-C4' energy: -77.677
flat angles P-C4'-P energy: -62.103
tors. eta vs tors. theta energy: -109.652
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: 2, replica: 7
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1191.388598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.388598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.184016 (E_RNA)
where:
Base-Base interactions energy: -829.977
where: short stacking energy: -353.570
Base-Backbone interact. energy: -0.778
local terms energy: -365.428258
where:
bonds (distance) C4'-P energy: -67.294
bonds (distance) P-C4' energy: -70.510
flat angles C4'-P-C4' energy: -73.511
flat angles P-C4'-P energy: -52.158
tors. eta vs tors. theta energy: -101.955
Dist. restrs. and SS energy: 4.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1120.462318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.462318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.438683 (E_RNA)
where:
Base-Base interactions energy: -789.083
where: short stacking energy: -320.023
Base-Backbone interact. energy: -0.433
local terms energy: -334.922209
where:
bonds (distance) C4'-P energy: -60.394
bonds (distance) P-C4' energy: -62.381
flat angles C4'-P-C4' energy: -83.924
flat angles P-C4'-P energy: -43.899
tors. eta vs tors. theta energy: -84.324
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: 4, replica: 9
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1117.141519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.141519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.272539 (E_RNA)
where:
Base-Base interactions energy: -775.459
where: short stacking energy: -316.195
Base-Backbone interact. energy: -0.601
local terms energy: -346.212092
where:
bonds (distance) C4'-P energy: -74.959
bonds (distance) P-C4' energy: -60.225
flat angles C4'-P-C4' energy: -76.451
flat angles P-C4'-P energy: -44.641
tors. eta vs tors. theta energy: -89.935
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: 5, replica: 10
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1068.780544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.780544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.552272 (E_RNA)
where:
Base-Base interactions energy: -748.292
where: short stacking energy: -284.884
Base-Backbone interact. energy: -1.536
local terms energy: -323.723671
where:
bonds (distance) C4'-P energy: -71.348
bonds (distance) P-C4' energy: -66.323
flat angles C4'-P-C4' energy: -67.917
flat angles P-C4'-P energy: -46.370
tors. eta vs tors. theta energy: -71.766
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: 6, replica: 2
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1027.843271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.843271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.565526 (E_RNA)
where:
Base-Base interactions energy: -728.243
where: short stacking energy: -296.810
Base-Backbone interact. energy: 2.103
local terms energy: -303.425501
where:
bonds (distance) C4'-P energy: -63.551
bonds (distance) P-C4' energy: -60.942
flat angles C4'-P-C4' energy: -60.247
flat angles P-C4'-P energy: -36.158
tors. eta vs tors. theta energy: -82.527
Dist. restrs. and SS energy: 1.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1054.975297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.975297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.347579 (E_RNA)
where:
Base-Base interactions energy: -762.131
where: short stacking energy: -294.071
Base-Backbone interact. energy: -1.180
local terms energy: -297.036197
where:
bonds (distance) C4'-P energy: -47.321
bonds (distance) P-C4' energy: -47.577
flat angles C4'-P-C4' energy: -76.883
flat angles P-C4'-P energy: -45.385
tors. eta vs tors. theta energy: -79.870
Dist. restrs. and SS energy: 5.372 (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: 3
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -978.687473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.687473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.955692 (E_RNA)
where:
Base-Base interactions energy: -668.812
where: short stacking energy: -256.349
Base-Backbone interact. energy: -0.208
local terms energy: -311.935867
where:
bonds (distance) C4'-P energy: -57.079
bonds (distance) P-C4' energy: -59.470
flat angles C4'-P-C4' energy: -76.475
flat angles P-C4'-P energy: -54.231
tors. eta vs tors. theta energy: -64.680
Dist. restrs. and SS energy: 2.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -953.382213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.382213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.165870 (E_RNA)
where:
Base-Base interactions energy: -635.779
where: short stacking energy: -253.098
Base-Backbone interact. energy: -0.415
local terms energy: -319.971038
where:
bonds (distance) C4'-P energy: -60.693
bonds (distance) P-C4' energy: -74.575
flat angles C4'-P-C4' energy: -72.336
flat angles P-C4'-P energy: -42.191
tors. eta vs tors. theta energy: -70.176
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: 10, replica: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -866.648087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.648087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.686610 (E_RNA)
where:
Base-Base interactions energy: -599.383
where: short stacking energy: -244.537
Base-Backbone interact. energy: 0.360
local terms energy: -277.663178
where:
bonds (distance) C4'-P energy: -55.224
bonds (distance) P-C4' energy: -62.454
flat angles C4'-P-C4' energy: -56.865
flat angles P-C4'-P energy: -46.823
tors. eta vs tors. theta energy: -56.297
Dist. restrs. and SS energy: 10.039 (S_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: 54
Temperature: 0.900000
Total energy: -1287.143826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.143826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.545127 (E_RNA)
where:
Base-Base interactions energy: -905.353
where: short stacking energy: -374.504
Base-Backbone interact. energy: -0.338
local terms energy: -384.855082
where:
bonds (distance) C4'-P energy: -68.524
bonds (distance) P-C4' energy: -69.885
flat angles C4'-P-C4' energy: -80.367
flat angles P-C4'-P energy: -58.040
tors. eta vs tors. theta energy: -108.039
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: 2, replica: 7
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1195.632087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.632087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.684746 (E_RNA)
where:
Base-Base interactions energy: -830.090
where: short stacking energy: -343.257
Base-Backbone interact. energy: -2.561
local terms energy: -367.033445
where:
bonds (distance) C4'-P energy: -60.008
bonds (distance) P-C4' energy: -74.821
flat angles C4'-P-C4' energy: -80.305
flat angles P-C4'-P energy: -53.405
tors. eta vs tors. theta energy: -98.494
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: 3, replica: 9
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1155.482761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.482761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.640908 (E_RNA)
where:
Base-Base interactions energy: -804.571
where: short stacking energy: -344.108
Base-Backbone interact. energy: -2.705
local terms energy: -352.364813
where:
bonds (distance) C4'-P energy: -62.168
bonds (distance) P-C4' energy: -65.412
flat angles C4'-P-C4' energy: -76.879
flat angles P-C4'-P energy: -54.955
tors. eta vs tors. theta energy: -92.950
Dist. restrs. and SS energy: 4.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1081.112619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.112619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.118354 (E_RNA)
where:
Base-Base interactions energy: -751.984
where: short stacking energy: -313.216
Base-Backbone interact. energy: -0.974
local terms energy: -332.160034
where:
bonds (distance) C4'-P energy: -59.779
bonds (distance) P-C4' energy: -62.412
flat angles C4'-P-C4' energy: -69.074
flat angles P-C4'-P energy: -49.439
tors. eta vs tors. theta energy: -91.456
Dist. restrs. and SS energy: 4.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1079.378702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.378702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.907678 (E_RNA)
where:
Base-Base interactions energy: -763.269
where: short stacking energy: -313.500
Base-Backbone interact. energy: 0.982
local terms energy: -321.620651
where:
bonds (distance) C4'-P energy: -60.907
bonds (distance) P-C4' energy: -61.112
flat angles C4'-P-C4' energy: -72.538
flat angles P-C4'-P energy: -41.387
tors. eta vs tors. theta energy: -85.676
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: 2
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1030.243144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.243144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.036370 (E_RNA)
where:
Base-Base interactions energy: -705.657
where: short stacking energy: -292.253
Base-Backbone interact. energy: -0.571
local terms energy: -326.807699
where:
bonds (distance) C4'-P energy: -70.327
bonds (distance) P-C4' energy: -75.550
flat angles C4'-P-C4' energy: -52.937
flat angles P-C4'-P energy: -53.717
tors. eta vs tors. theta energy: -74.277
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: 7, replica: 5
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1025.674437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.674437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.500071 (E_RNA)
where:
Base-Base interactions energy: -716.622
where: short stacking energy: -305.883
Base-Backbone interact. energy: -1.290
local terms energy: -313.588710
where:
bonds (distance) C4'-P energy: -57.459
bonds (distance) P-C4' energy: -62.191
flat angles C4'-P-C4' energy: -68.717
flat angles P-C4'-P energy: -38.026
tors. eta vs tors. theta energy: -87.196
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: 3
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -997.327568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.327568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.270451 (E_RNA)
where:
Base-Base interactions energy: -721.457
where: short stacking energy: -278.242
Base-Backbone interact. energy: -0.317
local terms energy: -279.496078
where:
bonds (distance) C4'-P energy: -42.463
bonds (distance) P-C4' energy: -52.317
flat angles C4'-P-C4' energy: -72.725
flat angles P-C4'-P energy: -38.507
tors. eta vs tors. theta energy: -73.483
Dist. restrs. and SS energy: 3.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -927.207134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.207134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.098838 (E_RNA)
where:
Base-Base interactions energy: -648.102
where: short stacking energy: -261.460
Base-Backbone interact. energy: -1.413
local terms energy: -279.583780
where:
bonds (distance) C4'-P energy: -49.989
bonds (distance) P-C4' energy: -59.756
flat angles C4'-P-C4' energy: -70.397
flat angles P-C4'-P energy: -39.884
tors. eta vs tors. theta energy: -59.559
Dist. restrs. and SS energy: 1.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -839.576036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.576036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.371889 (E_RNA)
where:
Base-Base interactions energy: -578.994
where: short stacking energy: -216.171
Base-Backbone interact. energy: 2.400
local terms energy: -269.777995
where:
bonds (distance) C4'-P energy: -63.144
bonds (distance) P-C4' energy: -63.032
flat angles C4'-P-C4' energy: -65.523
flat angles P-C4'-P energy: -28.133
tors. eta vs tors. theta energy: -49.946
Dist. restrs. and SS energy: 6.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1265.766411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.766411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.290828 (E_RNA)
where:
Base-Base interactions energy: -880.310
where: short stacking energy: -371.474
Base-Backbone interact. energy: -1.624
local terms energy: -387.356366
where:
bonds (distance) C4'-P energy: -73.219
bonds (distance) P-C4' energy: -74.913
flat angles C4'-P-C4' energy: -80.178
flat angles P-C4'-P energy: -50.747
tors. eta vs tors. theta energy: -108.299
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: 2, replica: 7
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1186.947175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.947175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.047354 (E_RNA)
where:
Base-Base interactions energy: -816.865
where: short stacking energy: -357.665
Base-Backbone interact. energy: -2.636
local terms energy: -370.545711
where:
bonds (distance) C4'-P energy: -70.477
bonds (distance) P-C4' energy: -77.169
flat angles C4'-P-C4' energy: -76.582
flat angles P-C4'-P energy: -45.935
tors. eta vs tors. theta energy: -100.383
Dist. restrs. and SS energy: 3.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1156.496084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.496084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.503850 (E_RNA)
where:
Base-Base interactions energy: -818.969
where: short stacking energy: -334.559
Base-Backbone interact. energy: -0.075
local terms energy: -340.460024
where:
bonds (distance) C4'-P energy: -61.949
bonds (distance) P-C4' energy: -69.162
flat angles C4'-P-C4' energy: -74.224
flat angles P-C4'-P energy: -46.717
tors. eta vs tors. theta energy: -88.408
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: 4, replica: 10
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1109.951243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.951243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.339668 (E_RNA)
where:
Base-Base interactions energy: -753.664
where: short stacking energy: -295.504
Base-Backbone interact. energy: -1.241
local terms energy: -358.434453
where:
bonds (distance) C4'-P energy: -66.484
bonds (distance) P-C4' energy: -75.452
flat angles C4'-P-C4' energy: -75.437
flat angles P-C4'-P energy: -57.421
tors. eta vs tors. theta energy: -83.640
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: 4
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1077.898924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.898924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.386910 (E_RNA)
where:
Base-Base interactions energy: -731.693
where: short stacking energy: -299.581
Base-Backbone interact. energy: -2.166
local terms energy: -348.528472
where:
bonds (distance) C4'-P energy: -66.527
bonds (distance) P-C4' energy: -64.271
flat angles C4'-P-C4' energy: -73.621
flat angles P-C4'-P energy: -52.296
tors. eta vs tors. theta energy: -91.814
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: 6, replica: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1049.769558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.769558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.526869 (E_RNA)
where:
Base-Base interactions energy: -743.568
where: short stacking energy: -304.646
Base-Backbone interact. energy: 0.407
local terms energy: -311.365941
where:
bonds (distance) C4'-P energy: -62.121
bonds (distance) P-C4' energy: -55.894
flat angles C4'-P-C4' energy: -63.417
flat angles P-C4'-P energy: -47.882
tors. eta vs tors. theta energy: -82.052
Dist. restrs. and SS energy: 4.757 (S_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: 55
Temperature: 1.200000
Total energy: -984.924702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.924702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.040587 (E_RNA)
where:
Base-Base interactions energy: -695.447
where: short stacking energy: -302.495
Base-Backbone interact. energy: -1.551
local terms energy: -291.042944
where:
bonds (distance) C4'-P energy: -57.469
bonds (distance) P-C4' energy: -44.509
flat angles C4'-P-C4' energy: -68.771
flat angles P-C4'-P energy: -41.518
tors. eta vs tors. theta energy: -78.777
Dist. restrs. and SS energy: 3.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -976.459968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.459968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.952745 (E_RNA)
where:
Base-Base interactions energy: -691.857
where: short stacking energy: -268.260
Base-Backbone interact. energy: -1.586
local terms energy: -285.509997
where:
bonds (distance) C4'-P energy: -46.938
bonds (distance) P-C4' energy: -52.522
flat angles C4'-P-C4' energy: -69.537
flat angles P-C4'-P energy: -43.840
tors. eta vs tors. theta energy: -72.673
Dist. restrs. and SS energy: 2.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -958.040968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.040968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.911389 (E_RNA)
where:
Base-Base interactions energy: -685.010
where: short stacking energy: -268.223
Base-Backbone interact. energy: -1.442
local terms energy: -274.459552
where:
bonds (distance) C4'-P energy: -44.386
bonds (distance) P-C4' energy: -59.583
flat angles C4'-P-C4' energy: -61.375
flat angles P-C4'-P energy: -31.051
tors. eta vs tors. theta energy: -78.065
Dist. restrs. and SS energy: 2.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -838.535467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.535467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.436563 (E_RNA)
where:
Base-Base interactions energy: -591.700
where: short stacking energy: -221.318
Base-Backbone interact. energy: -2.321
local terms energy: -253.416315
where:
bonds (distance) C4'-P energy: -45.949
bonds (distance) P-C4' energy: -64.064
flat angles C4'-P-C4' energy: -67.095
flat angles P-C4'-P energy: -33.534
tors. eta vs tors. theta energy: -42.774
Dist. restrs. and SS energy: 8.901 (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: 8
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1255.805084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.805084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.783311 (E_RNA)
where:
Base-Base interactions energy: -875.900
where: short stacking energy: -347.818
Base-Backbone interact. energy: -4.253
local terms energy: -378.629739
where:
bonds (distance) C4'-P energy: -69.536
bonds (distance) P-C4' energy: -64.399
flat angles C4'-P-C4' energy: -75.735
flat angles P-C4'-P energy: -62.682
tors. eta vs tors. theta energy: -106.277
Dist. restrs. and SS energy: 2.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1179.799408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.799408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.753468 (E_RNA)
where:
Base-Base interactions energy: -814.422
where: short stacking energy: -352.541
Base-Backbone interact. energy: -1.163
local terms energy: -369.168313
where:
bonds (distance) C4'-P energy: -66.623
bonds (distance) P-C4' energy: -60.604
flat angles C4'-P-C4' energy: -79.744
flat angles P-C4'-P energy: -52.506
tors. eta vs tors. theta energy: -109.691
Dist. restrs. and SS energy: 4.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1164.807103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.807103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.108616 (E_RNA)
where:
Base-Base interactions energy: -815.360
where: short stacking energy: -340.327
Base-Backbone interact. energy: 2.050
local terms energy: -354.798789
where:
bonds (distance) C4'-P energy: -66.877
bonds (distance) P-C4' energy: -77.971
flat angles C4'-P-C4' energy: -76.813
flat angles P-C4'-P energy: -40.121
tors. eta vs tors. theta energy: -93.017
Dist. restrs. and SS energy: 3.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1115.760978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.760978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.692633 (E_RNA)
where:
Base-Base interactions energy: -765.355
where: short stacking energy: -303.161
Base-Backbone interact. energy: -3.459
local terms energy: -350.879412
where:
bonds (distance) C4'-P energy: -67.738
bonds (distance) P-C4' energy: -77.629
flat angles C4'-P-C4' energy: -63.193
flat angles P-C4'-P energy: -56.437
tors. eta vs tors. theta energy: -85.882
Dist. restrs. and SS energy: 3.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1077.672416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.672416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.777490 (E_RNA)
where:
Base-Base interactions energy: -744.257
where: short stacking energy: -296.156
Base-Backbone interact. energy: -1.487
local terms energy: -335.033190
where:
bonds (distance) C4'-P energy: -55.991
bonds (distance) P-C4' energy: -62.694
flat angles C4'-P-C4' energy: -78.342
flat angles P-C4'-P energy: -52.422
tors. eta vs tors. theta energy: -85.586
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: 4
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1036.618823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.618823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.247168 (E_RNA)
where:
Base-Base interactions energy: -736.634
where: short stacking energy: -295.877
Base-Backbone interact. energy: 1.340
local terms energy: -303.953174
where:
bonds (distance) C4'-P energy: -56.096
bonds (distance) P-C4' energy: -61.753
flat angles C4'-P-C4' energy: -65.043
flat angles P-C4'-P energy: -42.415
tors. eta vs tors. theta energy: -78.646
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: 7, replica: 2
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -958.017921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.017921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.413866 (E_RNA)
where:
Base-Base interactions energy: -658.634
where: short stacking energy: -278.340
Base-Backbone interact. energy: -1.339
local terms energy: -301.441214
where:
bonds (distance) C4'-P energy: -62.779
bonds (distance) P-C4' energy: -58.183
flat angles C4'-P-C4' energy: -60.749
flat angles P-C4'-P energy: -50.371
tors. eta vs tors. theta energy: -69.359
Dist. restrs. and SS energy: 3.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -936.536438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.536438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.890677 (E_RNA)
where:
Base-Base interactions energy: -697.575
where: short stacking energy: -272.081
Base-Backbone interact. energy: -2.338
local terms energy: -241.977778
where:
bonds (distance) C4'-P energy: -53.023
bonds (distance) P-C4' energy: -48.086
flat angles C4'-P-C4' energy: -47.169
flat angles P-C4'-P energy: -35.896
tors. eta vs tors. theta energy: -57.804
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: 9, replica: 3
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -938.610712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.610712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.468988 (E_RNA)
where:
Base-Base interactions energy: -685.088
where: short stacking energy: -270.203
Base-Backbone interact. energy: 1.747
local terms energy: -263.127301
where:
bonds (distance) C4'-P energy: -43.498
bonds (distance) P-C4' energy: -52.027
flat angles C4'-P-C4' energy: -44.619
flat angles P-C4'-P energy: -51.777
tors. eta vs tors. theta energy: -71.206
Dist. restrs. and SS energy: 7.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -816.608581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.608581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.664723 (E_RNA)
where:
Base-Base interactions energy: -581.030
where: short stacking energy: -221.240
Base-Backbone interact. energy: -1.095
local terms energy: -241.540546
where:
bonds (distance) C4'-P energy: -46.829
bonds (distance) P-C4' energy: -57.258
flat angles C4'-P-C4' energy: -48.881
flat angles P-C4'-P energy: -37.016
tors. eta vs tors. theta energy: -51.556
Dist. restrs. and SS energy: 7.056 (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: 8
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1252.569884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.569884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.054057 (E_RNA)
where:
Base-Base interactions energy: -870.443
where: short stacking energy: -348.108
Base-Backbone interact. energy: -2.959
local terms energy: -382.651410
where:
bonds (distance) C4'-P energy: -72.232
bonds (distance) P-C4' energy: -69.920
flat angles C4'-P-C4' energy: -84.903
flat angles P-C4'-P energy: -54.650
tors. eta vs tors. theta energy: -100.945
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: 2, replica: 7
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1204.403143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.403143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.344004 (E_RNA)
where:
Base-Base interactions energy: -829.985
where: short stacking energy: -350.758
Base-Backbone interact. energy: -1.789
local terms energy: -375.569782
where:
bonds (distance) C4'-P energy: -70.505
bonds (distance) P-C4' energy: -72.388
flat angles C4'-P-C4' energy: -79.998
flat angles P-C4'-P energy: -47.862
tors. eta vs tors. theta energy: -104.817
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: 9
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1163.308755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.308755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.024925 (E_RNA)
where:
Base-Base interactions energy: -819.436
where: short stacking energy: -343.244
Base-Backbone interact. energy: -3.091
local terms energy: -343.497415
where:
bonds (distance) C4'-P energy: -70.350
bonds (distance) P-C4' energy: -65.162
flat angles C4'-P-C4' energy: -72.712
flat angles P-C4'-P energy: -46.578
tors. eta vs tors. theta energy: -88.696
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: 10
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1114.452385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.452385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.765517 (E_RNA)
where:
Base-Base interactions energy: -808.527
where: short stacking energy: -330.284
Base-Backbone interact. energy: -0.634
local terms energy: -309.604458
where:
bonds (distance) C4'-P energy: -55.834
bonds (distance) P-C4' energy: -50.011
flat angles C4'-P-C4' energy: -69.093
flat angles P-C4'-P energy: -46.452
tors. eta vs tors. theta energy: -88.214
Dist. restrs. and SS energy: 4.313 (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: 5
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1077.999470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.999470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.230697 (E_RNA)
where:
Base-Base interactions energy: -774.189
where: short stacking energy: -306.036
Base-Backbone interact. energy: -1.810
local terms energy: -307.230993
where:
bonds (distance) C4'-P energy: -57.956
bonds (distance) P-C4' energy: -70.689
flat angles C4'-P-C4' energy: -57.130
flat angles P-C4'-P energy: -42.167
tors. eta vs tors. theta energy: -79.289
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: 6, replica: 4
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1054.487698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.487698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.901793 (E_RNA)
where:
Base-Base interactions energy: -734.440
where: short stacking energy: -300.874
Base-Backbone interact. energy: -2.079
local terms energy: -323.382315
where:
bonds (distance) C4'-P energy: -58.669
bonds (distance) P-C4' energy: -58.814
flat angles C4'-P-C4' energy: -73.134
flat angles P-C4'-P energy: -49.212
tors. eta vs tors. theta energy: -83.554
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: 7, replica: 2
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1002.947916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.947916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.849987 (E_RNA)
where:
Base-Base interactions energy: -709.854
where: short stacking energy: -277.386
Base-Backbone interact. energy: 1.467
local terms energy: -299.462837
where:
bonds (distance) C4'-P energy: -68.830
bonds (distance) P-C4' energy: -58.689
flat angles C4'-P-C4' energy: -62.800
flat angles P-C4'-P energy: -31.754
tors. eta vs tors. theta energy: -77.390
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: 8, replica: 3
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -950.602685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.602685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.954464 (E_RNA)
where:
Base-Base interactions energy: -664.612
where: short stacking energy: -269.120
Base-Backbone interact. energy: -1.226
local terms energy: -293.116450
where:
bonds (distance) C4'-P energy: -56.984
bonds (distance) P-C4' energy: -64.785
flat angles C4'-P-C4' energy: -50.276
flat angles P-C4'-P energy: -46.599
tors. eta vs tors. theta energy: -74.472
Dist. restrs. and SS energy: 8.352 (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: 1
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -940.061752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.061752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.966286 (E_RNA)
where:
Base-Base interactions energy: -658.755
where: short stacking energy: -253.969
Base-Backbone interact. energy: -0.515
local terms energy: -284.696216
where:
bonds (distance) C4'-P energy: -52.072
bonds (distance) P-C4' energy: -66.392
flat angles C4'-P-C4' energy: -69.473
flat angles P-C4'-P energy: -32.281
tors. eta vs tors. theta energy: -64.478
Dist. restrs. and SS energy: 3.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -815.745491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.745491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.069914 (E_RNA)
where:
Base-Base interactions energy: -594.712
where: short stacking energy: -233.613
Base-Backbone interact. energy: 1.270
local terms energy: -228.628240
where:
bonds (distance) C4'-P energy: -56.744
bonds (distance) P-C4' energy: -36.053
flat angles C4'-P-C4' energy: -61.611
flat angles P-C4'-P energy: -27.585
tors. eta vs tors. theta energy: -46.635
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: 1, replica: 8
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1268.097805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.097805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.700353 (E_RNA)
where:
Base-Base interactions energy: -884.788
where: short stacking energy: -371.365
Base-Backbone interact. energy: 2.996
local terms energy: -389.908460
where:
bonds (distance) C4'-P energy: -76.241
bonds (distance) P-C4' energy: -74.801
flat angles C4'-P-C4' energy: -82.321
flat angles P-C4'-P energy: -50.807
tors. eta vs tors. theta energy: -105.738
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: 7
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1193.715012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.715012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.153777 (E_RNA)
where:
Base-Base interactions energy: -831.222
where: short stacking energy: -346.660
Base-Backbone interact. energy: -0.030
local terms energy: -365.901318
where:
bonds (distance) C4'-P energy: -67.564
bonds (distance) P-C4' energy: -64.829
flat angles C4'-P-C4' energy: -80.972
flat angles P-C4'-P energy: -46.138
tors. eta vs tors. theta energy: -106.398
Dist. restrs. and SS energy: 3.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1160.821694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.821694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.495969 (E_RNA)
where:
Base-Base interactions energy: -813.261
where: short stacking energy: -350.319
Base-Backbone interact. energy: -2.037
local terms energy: -348.197825
where:
bonds (distance) C4'-P energy: -59.846
bonds (distance) P-C4' energy: -67.189
flat angles C4'-P-C4' energy: -82.779
flat angles P-C4'-P energy: -45.989
tors. eta vs tors. theta energy: -92.394
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: 4, replica: 10
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1109.342817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.342817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.644777 (E_RNA)
where:
Base-Base interactions energy: -789.195
where: short stacking energy: -318.732
Base-Backbone interact. energy: 0.818
local terms energy: -324.267496
where:
bonds (distance) C4'-P energy: -61.277
bonds (distance) P-C4' energy: -72.154
flat angles C4'-P-C4' energy: -62.727
flat angles P-C4'-P energy: -47.045
tors. eta vs tors. theta energy: -81.065
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: 5
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1105.177181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.177181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.142112 (E_RNA)
where:
Base-Base interactions energy: -779.306
where: short stacking energy: -320.515
Base-Backbone interact. energy: -1.423
local terms energy: -328.413235
where:
bonds (distance) C4'-P energy: -64.010
bonds (distance) P-C4' energy: -67.421
flat angles C4'-P-C4' energy: -65.660
flat angles P-C4'-P energy: -45.851
tors. eta vs tors. theta energy: -85.471
Dist. restrs. and SS energy: 3.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1052.239249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.239249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.735776 (E_RNA)
where:
Base-Base interactions energy: -753.541
where: short stacking energy: -300.512
Base-Backbone interact. energy: 1.266
local terms energy: -303.460827
where:
bonds (distance) C4'-P energy: -62.890
bonds (distance) P-C4' energy: -59.206
flat angles C4'-P-C4' energy: -64.025
flat angles P-C4'-P energy: -37.192
tors. eta vs tors. theta energy: -80.148
Dist. restrs. and SS energy: 3.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -999.121815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.121815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.196800 (E_RNA)
where:
Base-Base interactions energy: -699.097
where: short stacking energy: -276.552
Base-Backbone interact. energy: -1.946
local terms energy: -302.154492
where:
bonds (distance) C4'-P energy: -55.605
bonds (distance) P-C4' energy: -63.793
flat angles C4'-P-C4' energy: -71.630
flat angles P-C4'-P energy: -34.334
tors. eta vs tors. theta energy: -76.792
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: 8, replica: 2
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -976.536121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.536121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.969019 (E_RNA)
where:
Base-Base interactions energy: -684.959
where: short stacking energy: -276.164
Base-Backbone interact. energy: -1.221
local terms energy: -293.788849
where:
bonds (distance) C4'-P energy: -55.929
bonds (distance) P-C4' energy: -60.154
flat angles C4'-P-C4' energy: -66.111
flat angles P-C4'-P energy: -43.607
tors. eta vs tors. theta energy: -67.987
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: 9, replica: 1
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -916.986916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.986916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.315019 (E_RNA)
where:
Base-Base interactions energy: -655.510
where: short stacking energy: -257.276
Base-Backbone interact. energy: -1.311
local terms energy: -267.493334
where:
bonds (distance) C4'-P energy: -64.227
bonds (distance) P-C4' energy: -43.176
flat angles C4'-P-C4' energy: -43.927
flat angles P-C4'-P energy: -50.169
tors. eta vs tors. theta energy: -65.994
Dist. restrs. and SS energy: 7.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -819.120289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.120289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.262047 (E_RNA)
where:
Base-Base interactions energy: -580.710
where: short stacking energy: -233.659
Base-Backbone interact. energy: -2.919
local terms energy: -244.632455
where:
bonds (distance) C4'-P energy: -46.271
bonds (distance) P-C4' energy: -54.342
flat angles C4'-P-C4' energy: -58.561
flat angles P-C4'-P energy: -26.974
tors. eta vs tors. theta energy: -58.485
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: 1, replica: 8
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1245.230487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.230487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.096605 (E_RNA)
where:
Base-Base interactions energy: -874.033
where: short stacking energy: -365.247
Base-Backbone interact. energy: -1.134
local terms energy: -372.928818
where:
bonds (distance) C4'-P energy: -69.233
bonds (distance) P-C4' energy: -58.854
flat angles C4'-P-C4' energy: -80.936
flat angles P-C4'-P energy: -59.456
tors. eta vs tors. theta energy: -104.450
Dist. restrs. and SS energy: 2.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1177.460222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.460222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.780144 (E_RNA)
where:
Base-Base interactions energy: -808.411
where: short stacking energy: -329.224
Base-Backbone interact. energy: -0.885
local terms energy: -370.484021
where:
bonds (distance) C4'-P energy: -68.742
bonds (distance) P-C4' energy: -75.280
flat angles C4'-P-C4' energy: -78.282
flat angles P-C4'-P energy: -52.537
tors. eta vs tors. theta energy: -95.642
Dist. restrs. and SS energy: 2.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1160.110735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.110735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.225559 (E_RNA)
where:
Base-Base interactions energy: -797.918
where: short stacking energy: -348.620
Base-Backbone interact. energy: -1.612
local terms energy: -362.695470
where:
bonds (distance) C4'-P energy: -68.537
bonds (distance) P-C4' energy: -77.553
flat angles C4'-P-C4' energy: -76.218
flat angles P-C4'-P energy: -43.943
tors. eta vs tors. theta energy: -96.445
Dist. restrs. and SS energy: 2.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1105.110167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.110167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.973750 (E_RNA)
where:
Base-Base interactions energy: -758.631
where: short stacking energy: -302.439
Base-Backbone interact. energy: -2.426
local terms energy: -347.916652
where:
bonds (distance) C4'-P energy: -68.271
bonds (distance) P-C4' energy: -65.800
flat angles C4'-P-C4' energy: -70.689
flat angles P-C4'-P energy: -61.057
tors. eta vs tors. theta energy: -82.098
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: 5
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1076.468889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.468889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.249470 (E_RNA)
where:
Base-Base interactions energy: -754.640
where: short stacking energy: -288.776
Base-Backbone interact. energy: -0.209
local terms energy: -326.400997
where:
bonds (distance) C4'-P energy: -65.561
bonds (distance) P-C4' energy: -55.945
flat angles C4'-P-C4' energy: -72.586
flat angles P-C4'-P energy: -51.602
tors. eta vs tors. theta energy: -80.707
Dist. restrs. and SS energy: 4.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1063.192828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.192828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.204891 (E_RNA)
where:
Base-Base interactions energy: -738.953
where: short stacking energy: -297.864
Base-Backbone interact. energy: 6.870
local terms energy: -334.121815
where:
bonds (distance) C4'-P energy: -66.721
bonds (distance) P-C4' energy: -70.889
flat angles C4'-P-C4' energy: -72.369
flat angles P-C4'-P energy: -45.827
tors. eta vs tors. theta energy: -78.315
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: 7, replica: 3
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1007.940408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.940408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.470108 (E_RNA)
where:
Base-Base interactions energy: -691.835
where: short stacking energy: -270.591
Base-Backbone interact. energy: -3.046
local terms energy: -316.589024
where:
bonds (distance) C4'-P energy: -49.600
bonds (distance) P-C4' energy: -65.449
flat angles C4'-P-C4' energy: -80.784
flat angles P-C4'-P energy: -52.051
tors. eta vs tors. theta energy: -68.705
Dist. restrs. and SS energy: 3.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -978.002548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.002548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.513102 (E_RNA)
where:
Base-Base interactions energy: -672.416
where: short stacking energy: -285.687
Base-Backbone interact. energy: -2.145
local terms energy: -309.952171
where:
bonds (distance) C4'-P energy: -56.055
bonds (distance) P-C4' energy: -62.073
flat angles C4'-P-C4' energy: -70.794
flat angles P-C4'-P energy: -35.239
tors. eta vs tors. theta energy: -85.791
Dist. restrs. and SS energy: 6.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -938.043864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.043864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.694771 (E_RNA)
where:
Base-Base interactions energy: -631.981
where: short stacking energy: -252.458
Base-Backbone interact. energy: -1.386
local terms energy: -309.327755
where:
bonds (distance) C4'-P energy: -46.071
bonds (distance) P-C4' energy: -73.360
flat angles C4'-P-C4' energy: -67.471
flat angles P-C4'-P energy: -51.400
tors. eta vs tors. theta energy: -71.025
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: 10, replica: 6
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -795.112445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.112445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.748680 (E_RNA)
where:
Base-Base interactions energy: -568.839
where: short stacking energy: -232.395
Base-Backbone interact. energy: 1.623
local terms energy: -238.533101
where:
bonds (distance) C4'-P energy: -55.573
bonds (distance) P-C4' energy: -41.860
flat angles C4'-P-C4' energy: -58.167
flat angles P-C4'-P energy: -21.768
tors. eta vs tors. theta energy: -61.164
Dist. restrs. and SS energy: 10.636 (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: 8
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1250.961836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.961836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.458974 (E_RNA)
where:
Base-Base interactions energy: -878.275
where: short stacking energy: -353.631
Base-Backbone interact. energy: -1.979
local terms energy: -374.204779
where:
bonds (distance) C4'-P energy: -67.648
bonds (distance) P-C4' energy: -70.100
flat angles C4'-P-C4' energy: -74.016
flat angles P-C4'-P energy: -54.275
tors. eta vs tors. theta energy: -108.165
Dist. restrs. and SS energy: 3.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1200.753521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.753521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.188535 (E_RNA)
where:
Base-Base interactions energy: -831.605
where: short stacking energy: -348.728
Base-Backbone interact. energy: -1.593
local terms energy: -371.990058
where:
bonds (distance) C4'-P energy: -68.774
bonds (distance) P-C4' energy: -71.121
flat angles C4'-P-C4' energy: -78.185
flat angles P-C4'-P energy: -54.314
tors. eta vs tors. theta energy: -99.595
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: 3, replica: 9
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1167.057088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.057088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.748278 (E_RNA)
where:
Base-Base interactions energy: -822.635
where: short stacking energy: -334.844
Base-Backbone interact. energy: -0.323
local terms energy: -346.790538
where:
bonds (distance) C4'-P energy: -67.459
bonds (distance) P-C4' energy: -62.742
flat angles C4'-P-C4' energy: -80.025
flat angles P-C4'-P energy: -43.017
tors. eta vs tors. theta energy: -93.548
Dist. restrs. and SS energy: 2.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1116.941051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.941051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.749472 (E_RNA)
where:
Base-Base interactions energy: -767.716
where: short stacking energy: -314.023
Base-Backbone interact. energy: 2.130
local terms energy: -354.163653
where:
bonds (distance) C4'-P energy: -64.368
bonds (distance) P-C4' energy: -73.490
flat angles C4'-P-C4' energy: -76.370
flat angles P-C4'-P energy: -54.446
tors. eta vs tors. theta energy: -85.490
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: 5
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1071.242916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.242916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.268414 (E_RNA)
where:
Base-Base interactions energy: -757.251
where: short stacking energy: -300.629
Base-Backbone interact. energy: -1.880
local terms energy: -317.137783
where:
bonds (distance) C4'-P energy: -56.889
bonds (distance) P-C4' energy: -54.370
flat angles C4'-P-C4' energy: -67.827
flat angles P-C4'-P energy: -54.384
tors. eta vs tors. theta energy: -83.667
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: 6, replica: 4
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1065.391944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.391944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.795402 (E_RNA)
where:
Base-Base interactions energy: -746.300
where: short stacking energy: -302.095
Base-Backbone interact. energy: -1.049
local terms energy: -321.446434
where:
bonds (distance) C4'-P energy: -60.324
bonds (distance) P-C4' energy: -70.631
flat angles C4'-P-C4' energy: -68.440
flat angles P-C4'-P energy: -41.986
tors. eta vs tors. theta energy: -80.066
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: 60
Temperature: 1.200000
Total energy: -994.839698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.839698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.528704 (E_RNA)
where:
Base-Base interactions energy: -701.511
where: short stacking energy: -281.797
Base-Backbone interact. energy: -3.616
local terms energy: -294.402240
where:
bonds (distance) C4'-P energy: -57.284
bonds (distance) P-C4' energy: -51.350
flat angles C4'-P-C4' energy: -66.353
flat angles P-C4'-P energy: -42.183
tors. eta vs tors. theta energy: -77.233
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: 8, replica: 2
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -938.436781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.436781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.235926 (E_RNA)
where:
Base-Base interactions energy: -661.187
where: short stacking energy: -268.245
Base-Backbone interact. energy: -1.910
local terms energy: -281.139038
where:
bonds (distance) C4'-P energy: -59.290
bonds (distance) P-C4' energy: -50.140
flat angles C4'-P-C4' energy: -69.040
flat angles P-C4'-P energy: -38.834
tors. eta vs tors. theta energy: -63.835
Dist. restrs. and SS energy: 5.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -931.612924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.612924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.947066 (E_RNA)
where:
Base-Base interactions energy: -637.798
where: short stacking energy: -251.882
Base-Backbone interact. energy: -4.092
local terms energy: -295.056586
where:
bonds (distance) C4'-P energy: -61.231
bonds (distance) P-C4' energy: -52.712
flat angles C4'-P-C4' energy: -69.709
flat angles P-C4'-P energy: -48.520
tors. eta vs tors. theta energy: -62.884
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: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -794.515955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.515955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.693729 (E_RNA)
where:
Base-Base interactions energy: -577.719
where: short stacking energy: -217.340
Base-Backbone interact. energy: 3.718
local terms energy: -232.693094
where:
bonds (distance) C4'-P energy: -43.111
bonds (distance) P-C4' energy: -55.639
flat angles C4'-P-C4' energy: -43.966
flat angles P-C4'-P energy: -41.212
tors. eta vs tors. theta energy: -48.765
Dist. restrs. and SS energy: 12.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1252.269071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.269071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.268175 (E_RNA)
where:
Base-Base interactions energy: -867.300
where: short stacking energy: -348.630
Base-Backbone interact. energy: 0.673
local terms energy: -389.641125
where:
bonds (distance) C4'-P energy: -67.685
bonds (distance) P-C4' energy: -78.393
flat angles C4'-P-C4' energy: -81.151
flat angles P-C4'-P energy: -58.708
tors. eta vs tors. theta energy: -103.704
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: 2, replica: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1213.996766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.996766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.866879 (E_RNA)
where:
Base-Base interactions energy: -851.034
where: short stacking energy: -361.294
Base-Backbone interact. energy: -3.581
local terms energy: -362.251061
where:
bonds (distance) C4'-P energy: -60.900
bonds (distance) P-C4' energy: -62.915
flat angles C4'-P-C4' energy: -78.163
flat angles P-C4'-P energy: -52.714
tors. eta vs tors. theta energy: -107.559
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: 3, replica: 9
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1129.934107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.934107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.695162 (E_RNA)
where:
Base-Base interactions energy: -791.971
where: short stacking energy: -318.442
Base-Backbone interact. energy: 0.128
local terms energy: -342.852180
where:
bonds (distance) C4'-P energy: -61.488
bonds (distance) P-C4' energy: -70.835
flat angles C4'-P-C4' energy: -68.907
flat angles P-C4'-P energy: -51.193
tors. eta vs tors. theta energy: -90.428
Dist. restrs. and SS energy: 4.761 (S_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: 61
Temperature: 1.050000
Total energy: -1135.346713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.346713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.569077 (E_RNA)
where:
Base-Base interactions energy: -791.450
where: short stacking energy: -314.468
Base-Backbone interact. energy: -4.294
local terms energy: -343.825128
where:
bonds (distance) C4'-P energy: -67.884
bonds (distance) P-C4' energy: -67.420
flat angles C4'-P-C4' energy: -64.487
flat angles P-C4'-P energy: -49.268
tors. eta vs tors. theta energy: -94.766
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: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1074.616192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.616192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.656054 (E_RNA)
where:
Base-Base interactions energy: -751.242
where: short stacking energy: -310.593
Base-Backbone interact. energy: -1.234
local terms energy: -326.180947
where:
bonds (distance) C4'-P energy: -56.143
bonds (distance) P-C4' energy: -66.955
flat angles C4'-P-C4' energy: -77.665
flat angles P-C4'-P energy: -48.864
tors. eta vs tors. theta energy: -76.555
Dist. restrs. and SS energy: 4.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1028.255534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.255534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.029803 (E_RNA)
where:
Base-Base interactions energy: -719.082
where: short stacking energy: -284.249
Base-Backbone interact. energy: -3.274
local terms energy: -309.673310
where:
bonds (distance) C4'-P energy: -54.420
bonds (distance) P-C4' energy: -66.647
flat angles C4'-P-C4' energy: -75.859
flat angles P-C4'-P energy: -40.549
tors. eta vs tors. theta energy: -72.198
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: 7, replica: 4
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -998.680493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.680493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.054442 (E_RNA)
where:
Base-Base interactions energy: -708.344
where: short stacking energy: -277.585
Base-Backbone interact. energy: -1.614
local terms energy: -291.096490
where:
bonds (distance) C4'-P energy: -54.544
bonds (distance) P-C4' energy: -66.065
flat angles C4'-P-C4' energy: -63.657
flat angles P-C4'-P energy: -38.976
tors. eta vs tors. theta energy: -67.855
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: 8, replica: 2
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -934.351621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.351621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.121955 (E_RNA)
where:
Base-Base interactions energy: -651.452
where: short stacking energy: -271.678
Base-Backbone interact. energy: -0.263
local terms energy: -286.406996
where:
bonds (distance) C4'-P energy: -61.687
bonds (distance) P-C4' energy: -43.008
flat angles C4'-P-C4' energy: -67.502
flat angles P-C4'-P energy: -44.990
tors. eta vs tors. theta energy: -69.220
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: 1
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -921.366657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.366657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.476045 (E_RNA)
where:
Base-Base interactions energy: -654.596
where: short stacking energy: -258.945
Base-Backbone interact. energy: -2.408
local terms energy: -272.471396
where:
bonds (distance) C4'-P energy: -55.952
bonds (distance) P-C4' energy: -46.198
flat angles C4'-P-C4' energy: -56.877
flat angles P-C4'-P energy: -47.947
tors. eta vs tors. theta energy: -65.497
Dist. restrs. and SS energy: 8.109 (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: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -819.955132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.955132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.301827 (E_RNA)
where:
Base-Base interactions energy: -568.383
where: short stacking energy: -208.008
Base-Backbone interact. energy: -1.554
local terms energy: -252.364439
where:
bonds (distance) C4'-P energy: -53.367
bonds (distance) P-C4' energy: -53.852
flat angles C4'-P-C4' energy: -61.978
flat angles P-C4'-P energy: -36.645
tors. eta vs tors. theta energy: -46.522
Dist. restrs. and SS energy: 2.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1248.723624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.723624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.058775 (E_RNA)
where:
Base-Base interactions energy: -870.791
where: short stacking energy: -361.572
Base-Backbone interact. energy: -1.325
local terms energy: -379.943391
where:
bonds (distance) C4'-P energy: -68.407
bonds (distance) P-C4' energy: -72.120
flat angles C4'-P-C4' energy: -79.794
flat angles P-C4'-P energy: -54.479
tors. eta vs tors. theta energy: -105.144
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: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1179.676269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.676269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.935116 (E_RNA)
where:
Base-Base interactions energy: -819.120
where: short stacking energy: -324.100
Base-Backbone interact. energy: -5.011
local terms energy: -358.803418
where:
bonds (distance) C4'-P energy: -68.202
bonds (distance) P-C4' energy: -73.708
flat angles C4'-P-C4' energy: -70.488
flat angles P-C4'-P energy: -54.424
tors. eta vs tors. theta energy: -91.981
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: 3, replica: 10
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1139.747429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.747429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.111675 (E_RNA)
where:
Base-Base interactions energy: -787.225
where: short stacking energy: -329.642
Base-Backbone interact. energy: -1.924
local terms energy: -354.962633
where:
bonds (distance) C4'-P energy: -73.150
bonds (distance) P-C4' energy: -67.739
flat angles C4'-P-C4' energy: -81.504
flat angles P-C4'-P energy: -48.545
tors. eta vs tors. theta energy: -84.025
Dist. restrs. and SS energy: 4.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1106.899764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.899764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.158812 (E_RNA)
where:
Base-Base interactions energy: -766.761
where: short stacking energy: -307.565
Base-Backbone interact. energy: 0.684
local terms energy: -344.082082
where:
bonds (distance) C4'-P energy: -65.262
bonds (distance) P-C4' energy: -66.180
flat angles C4'-P-C4' energy: -69.115
flat angles P-C4'-P energy: -50.544
tors. eta vs tors. theta energy: -92.981
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: 5, replica: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1060.541660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.541660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.764007 (E_RNA)
where:
Base-Base interactions energy: -760.552
where: short stacking energy: -300.242
Base-Backbone interact. energy: 1.282
local terms energy: -304.493576
where:
bonds (distance) C4'-P energy: -60.462
bonds (distance) P-C4' energy: -51.435
flat angles C4'-P-C4' energy: -67.027
flat angles P-C4'-P energy: -46.630
tors. eta vs tors. theta energy: -78.939
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: 3
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -983.333836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.333836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.912925 (E_RNA)
where:
Base-Base interactions energy: -679.848
where: short stacking energy: -274.550
Base-Backbone interact. energy: -1.985
local terms energy: -306.079701
where:
bonds (distance) C4'-P energy: -56.068
bonds (distance) P-C4' energy: -76.227
flat angles C4'-P-C4' energy: -50.209
flat angles P-C4'-P energy: -47.787
tors. eta vs tors. theta energy: -75.789
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: 7, replica: 4
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1008.476331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.476331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.729535 (E_RNA)
where:
Base-Base interactions energy: -699.608
where: short stacking energy: -276.334
Base-Backbone interact. energy: 0.855
local terms energy: -312.976437
where:
bonds (distance) C4'-P energy: -69.596
bonds (distance) P-C4' energy: -70.503
flat angles C4'-P-C4' energy: -76.231
flat angles P-C4'-P energy: -38.201
tors. eta vs tors. theta energy: -58.446
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: 8, replica: 2
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -931.142386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.142386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.364370 (E_RNA)
where:
Base-Base interactions energy: -676.644
where: short stacking energy: -269.317
Base-Backbone interact. energy: -0.026
local terms energy: -263.694299
where:
bonds (distance) C4'-P energy: -62.037
bonds (distance) P-C4' energy: -40.718
flat angles C4'-P-C4' energy: -58.915
flat angles P-C4'-P energy: -41.442
tors. eta vs tors. theta energy: -60.582
Dist. restrs. and SS energy: 9.222 (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: 1
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -931.287266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.287266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.468517 (E_RNA)
where:
Base-Base interactions energy: -636.808
where: short stacking energy: -254.620
Base-Backbone interact. energy: -2.224
local terms energy: -302.435859
where:
bonds (distance) C4'-P energy: -70.943
bonds (distance) P-C4' energy: -59.232
flat angles C4'-P-C4' energy: -63.187
flat angles P-C4'-P energy: -41.832
tors. eta vs tors. theta energy: -67.242
Dist. restrs. and SS energy: 10.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -835.379230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.379230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.756048 (E_RNA)
where:
Base-Base interactions energy: -583.579
where: short stacking energy: -235.663
Base-Backbone interact. energy: -1.623
local terms energy: -258.554111
where:
bonds (distance) C4'-P energy: -47.789
bonds (distance) P-C4' energy: -62.950
flat angles C4'-P-C4' energy: -61.185
flat angles P-C4'-P energy: -33.180
tors. eta vs tors. theta energy: -53.449
Dist. restrs. and SS energy: 8.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1252.630815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.630815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.020038 (E_RNA)
where:
Base-Base interactions energy: -863.035
where: short stacking energy: -373.288
Base-Backbone interact. energy: -2.543
local terms energy: -391.441603
where:
bonds (distance) C4'-P energy: -70.212
bonds (distance) P-C4' energy: -74.416
flat angles C4'-P-C4' energy: -81.746
flat angles P-C4'-P energy: -56.351
tors. eta vs tors. theta energy: -108.715
Dist. restrs. and SS energy: 4.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1216.270880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.270880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.083317 (E_RNA)
where:
Base-Base interactions energy: -844.355
where: short stacking energy: -343.413
Base-Backbone interact. energy: -1.447
local terms energy: -371.280523
where:
bonds (distance) C4'-P energy: -72.288
bonds (distance) P-C4' energy: -70.860
flat angles C4'-P-C4' energy: -67.472
flat angles P-C4'-P energy: -63.196
tors. eta vs tors. theta energy: -97.465
Dist. restrs. and SS energy: 0.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1140.930612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.930612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.032534 (E_RNA)
where:
Base-Base interactions energy: -794.549
where: short stacking energy: -336.963
Base-Backbone interact. energy: -1.569
local terms energy: -348.914462
where:
bonds (distance) C4'-P energy: -70.010
bonds (distance) P-C4' energy: -64.835
flat angles C4'-P-C4' energy: -73.802
flat angles P-C4'-P energy: -45.921
tors. eta vs tors. theta energy: -94.346
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: 4, replica: 9
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1146.260575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.260575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.368340 (E_RNA)
where:
Base-Base interactions energy: -811.553
where: short stacking energy: -339.136
Base-Backbone interact. energy: 0.754
local terms energy: -341.569521
where:
bonds (distance) C4'-P energy: -56.334
bonds (distance) P-C4' energy: -76.475
flat angles C4'-P-C4' energy: -71.076
flat angles P-C4'-P energy: -44.172
tors. eta vs tors. theta energy: -93.513
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: 5, replica: 5
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1066.092300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.092300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.972360 (E_RNA)
where:
Base-Base interactions energy: -753.429
where: short stacking energy: -304.603
Base-Backbone interact. energy: -1.975
local terms energy: -315.568564
where:
bonds (distance) C4'-P energy: -66.663
bonds (distance) P-C4' energy: -65.057
flat angles C4'-P-C4' energy: -58.419
flat angles P-C4'-P energy: -44.313
tors. eta vs tors. theta energy: -81.116
Dist. restrs. and SS energy: 4.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1033.352548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.352548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.581169 (E_RNA)
where:
Base-Base interactions energy: -709.913
where: short stacking energy: -271.620
Base-Backbone interact. energy: -1.657
local terms energy: -324.011006
where:
bonds (distance) C4'-P energy: -62.530
bonds (distance) P-C4' energy: -63.142
flat angles C4'-P-C4' energy: -73.687
flat angles P-C4'-P energy: -43.756
tors. eta vs tors. theta energy: -80.896
Dist. restrs. and SS energy: 2.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1002.450087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.450087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.929898 (E_RNA)
where:
Base-Base interactions energy: -687.275
where: short stacking energy: -273.002
Base-Backbone interact. energy: -2.865
local terms energy: -316.789636
where:
bonds (distance) C4'-P energy: -54.927
bonds (distance) P-C4' energy: -67.056
flat angles C4'-P-C4' energy: -75.005
flat angles P-C4'-P energy: -41.567
tors. eta vs tors. theta energy: -78.235
Dist. restrs. and SS energy: 4.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -953.819620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.819620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.708445 (E_RNA)
where:
Base-Base interactions energy: -678.395
where: short stacking energy: -258.489
Base-Backbone interact. energy: -3.538
local terms energy: -277.775218
where:
bonds (distance) C4'-P energy: -47.692
bonds (distance) P-C4' energy: -45.480
flat angles C4'-P-C4' energy: -67.315
flat angles P-C4'-P energy: -49.274
tors. eta vs tors. theta energy: -68.015
Dist. restrs. and SS energy: 5.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -896.610875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.610875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.702576 (E_RNA)
where:
Base-Base interactions energy: -633.258
where: short stacking energy: -242.823
Base-Backbone interact. energy: 5.056
local terms energy: -271.501074
where:
bonds (distance) C4'-P energy: -53.083
bonds (distance) P-C4' energy: -52.995
flat angles C4'-P-C4' energy: -60.652
flat angles P-C4'-P energy: -42.810
tors. eta vs tors. theta energy: -61.961
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: 10, replica: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -809.327581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.327581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.081558 (E_RNA)
where:
Base-Base interactions energy: -572.362
where: short stacking energy: -223.830
Base-Backbone interact. energy: -0.676
local terms energy: -254.044496
where:
bonds (distance) C4'-P energy: -57.047
bonds (distance) P-C4' energy: -61.881
flat angles C4'-P-C4' energy: -55.408
flat angles P-C4'-P energy: -34.289
tors. eta vs tors. theta energy: -45.419
Dist. restrs. and SS energy: 17.754 (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: 8
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1247.067531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.067531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.439167 (E_RNA)
where:
Base-Base interactions energy: -861.802
where: short stacking energy: -365.192
Base-Backbone interact. energy: -1.553
local terms energy: -387.084683
where:
bonds (distance) C4'-P energy: -73.445
bonds (distance) P-C4' energy: -66.331
flat angles C4'-P-C4' energy: -80.351
flat angles P-C4'-P energy: -61.705
tors. eta vs tors. theta energy: -105.253
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: 2, replica: 7
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1199.929361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.929361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.217114 (E_RNA)
where:
Base-Base interactions energy: -837.109
where: short stacking energy: -347.422
Base-Backbone interact. energy: 0.408
local terms energy: -364.515440
where:
bonds (distance) C4'-P energy: -67.350
bonds (distance) P-C4' energy: -66.724
flat angles C4'-P-C4' energy: -70.722
flat angles P-C4'-P energy: -59.440
tors. eta vs tors. theta energy: -100.279
Dist. restrs. and SS energy: 1.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1151.437880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.437880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.878447 (E_RNA)
where:
Base-Base interactions energy: -790.725
where: short stacking energy: -333.257
Base-Backbone interact. energy: -1.850
local terms energy: -363.303461
where:
bonds (distance) C4'-P energy: -64.020
bonds (distance) P-C4' energy: -77.511
flat angles C4'-P-C4' energy: -74.842
flat angles P-C4'-P energy: -56.043
tors. eta vs tors. theta energy: -90.887
Dist. restrs. and SS energy: 4.441 (S_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: 64
Temperature: 1.050000
Total energy: -1118.941947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.941947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.134597 (E_RNA)
where:
Base-Base interactions energy: -782.628
where: short stacking energy: -316.333
Base-Backbone interact. energy: -1.865
local terms energy: -337.640715
where:
bonds (distance) C4'-P energy: -70.147
bonds (distance) P-C4' energy: -54.946
flat angles C4'-P-C4' energy: -73.193
flat angles P-C4'-P energy: -51.672
tors. eta vs tors. theta energy: -87.683
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: 5, replica: 5
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1065.128602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.128602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.772674 (E_RNA)
where:
Base-Base interactions energy: -746.999
where: short stacking energy: -293.433
Base-Backbone interact. energy: -1.440
local terms energy: -321.333181
where:
bonds (distance) C4'-P energy: -61.380
bonds (distance) P-C4' energy: -71.611
flat angles C4'-P-C4' energy: -71.386
flat angles P-C4'-P energy: -37.599
tors. eta vs tors. theta energy: -79.358
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: 6, replica: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1040.512203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.512203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.029273 (E_RNA)
where:
Base-Base interactions energy: -714.103
where: short stacking energy: -301.671
Base-Backbone interact. energy: -1.934
local terms energy: -327.992201
where:
bonds (distance) C4'-P energy: -53.017
bonds (distance) P-C4' energy: -66.198
flat angles C4'-P-C4' energy: -67.139
flat angles P-C4'-P energy: -52.294
tors. eta vs tors. theta energy: -89.344
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: 7, replica: 1
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -967.371190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.371190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.476709 (E_RNA)
where:
Base-Base interactions energy: -665.006
where: short stacking energy: -273.431
Base-Backbone interact. energy: -2.836
local terms energy: -300.635592
where:
bonds (distance) C4'-P energy: -59.733
bonds (distance) P-C4' energy: -57.668
flat angles C4'-P-C4' energy: -71.753
flat angles P-C4'-P energy: -42.310
tors. eta vs tors. theta energy: -69.172
Dist. restrs. and SS energy: 1.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -1008.417857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.417857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.620640 (E_RNA)
where:
Base-Base interactions energy: -718.311
where: short stacking energy: -281.344
Base-Backbone interact. energy: -3.287
local terms energy: -290.022030
where:
bonds (distance) C4'-P energy: -53.752
bonds (distance) P-C4' energy: -60.247
flat angles C4'-P-C4' energy: -64.336
flat angles P-C4'-P energy: -39.779
tors. eta vs tors. theta energy: -71.908
Dist. restrs. and SS energy: 3.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -910.403216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.403216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.011406 (E_RNA)
where:
Base-Base interactions energy: -630.076
where: short stacking energy: -247.251
Base-Backbone interact. energy: 0.453
local terms energy: -283.388061
where:
bonds (distance) C4'-P energy: -56.520
bonds (distance) P-C4' energy: -56.421
flat angles C4'-P-C4' energy: -63.334
flat angles P-C4'-P energy: -47.522
tors. eta vs tors. theta energy: -59.591
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: 10, replica: 6
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -874.230523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.230523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.765121 (E_RNA)
where:
Base-Base interactions energy: -622.582
where: short stacking energy: -235.102
Base-Backbone interact. energy: 2.066
local terms energy: -259.248858
where:
bonds (distance) C4'-P energy: -58.496
bonds (distance) P-C4' energy: -46.272
flat angles C4'-P-C4' energy: -61.555
flat angles P-C4'-P energy: -34.784
tors. eta vs tors. theta energy: -58.142
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: 1, replica: 8
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1263.404989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.404989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.453229 (E_RNA)
where:
Base-Base interactions energy: -886.530
where: short stacking energy: -375.165
Base-Backbone interact. energy: -0.434
local terms energy: -381.489253
where:
bonds (distance) C4'-P energy: -68.265
bonds (distance) P-C4' energy: -70.484
flat angles C4'-P-C4' energy: -78.343
flat angles P-C4'-P energy: -57.618
tors. eta vs tors. theta energy: -106.779
Dist. restrs. and SS energy: 5.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1174.901315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.901315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.717073 (E_RNA)
where:
Base-Base interactions energy: -805.053
where: short stacking energy: -332.082
Base-Backbone interact. energy: -1.714
local terms energy: -371.950432
where:
bonds (distance) C4'-P energy: -73.557
bonds (distance) P-C4' energy: -73.467
flat angles C4'-P-C4' energy: -78.974
flat angles P-C4'-P energy: -50.100
tors. eta vs tors. theta energy: -95.853
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: 3, replica: 7
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1151.745815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.745815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.290657 (E_RNA)
where:
Base-Base interactions energy: -791.508
where: short stacking energy: -329.073
Base-Backbone interact. energy: -0.169
local terms energy: -362.612754
where:
bonds (distance) C4'-P energy: -74.060
bonds (distance) P-C4' energy: -62.873
flat angles C4'-P-C4' energy: -81.708
flat angles P-C4'-P energy: -48.093
tors. eta vs tors. theta energy: -95.878
Dist. restrs. and SS energy: 2.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1092.903066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.903066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.862333 (E_RNA)
where:
Base-Base interactions energy: -759.413
where: short stacking energy: -300.605
Base-Backbone interact. energy: -1.022
local terms energy: -336.427685
where:
bonds (distance) C4'-P energy: -65.624
bonds (distance) P-C4' energy: -74.115
flat angles C4'-P-C4' energy: -67.633
flat angles P-C4'-P energy: -41.128
tors. eta vs tors. theta energy: -87.928
Dist. restrs. and SS energy: 3.959 (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: 65
Temperature: 1.100000
Total energy: -1063.438058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.438058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.453205 (E_RNA)
where:
Base-Base interactions energy: -729.777
where: short stacking energy: -284.928
Base-Backbone interact. energy: -1.351
local terms energy: -336.325767
where:
bonds (distance) C4'-P energy: -60.415
bonds (distance) P-C4' energy: -70.414
flat angles C4'-P-C4' energy: -72.254
flat angles P-C4'-P energy: -52.491
tors. eta vs tors. theta energy: -80.751
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: 6, replica: 3
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1025.241135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.241135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.178795 (E_RNA)
where:
Base-Base interactions energy: -703.646
where: short stacking energy: -273.430
Base-Backbone interact. energy: -3.915
local terms energy: -318.617276
where:
bonds (distance) C4'-P energy: -60.063
bonds (distance) P-C4' energy: -70.702
flat angles C4'-P-C4' energy: -62.624
flat angles P-C4'-P energy: -43.252
tors. eta vs tors. theta energy: -81.976
Dist. restrs. and SS energy: 0.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -995.952430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.952430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.380679 (E_RNA)
where:
Base-Base interactions energy: -700.489
where: short stacking energy: -283.544
Base-Backbone interact. energy: -0.215
local terms energy: -296.676097
where:
bonds (distance) C4'-P energy: -62.753
bonds (distance) P-C4' energy: -56.653
flat angles C4'-P-C4' energy: -61.562
flat angles P-C4'-P energy: -42.170
tors. eta vs tors. theta energy: -73.538
Dist. restrs. and SS energy: 1.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -993.015939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.015939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.560494 (E_RNA)
where:
Base-Base interactions energy: -697.674
where: short stacking energy: -280.329
Base-Backbone interact. energy: -0.404
local terms energy: -298.482553
where:
bonds (distance) C4'-P energy: -54.510
bonds (distance) P-C4' energy: -53.650
flat angles C4'-P-C4' energy: -72.605
flat angles P-C4'-P energy: -35.117
tors. eta vs tors. theta energy: -82.601
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: 9, replica: 2
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -929.255766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.255766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.114146 (E_RNA)
where:
Base-Base interactions energy: -640.655
where: short stacking energy: -254.986
Base-Backbone interact. energy: -0.081
local terms energy: -292.378559
where:
bonds (distance) C4'-P energy: -50.207
bonds (distance) P-C4' energy: -57.126
flat angles C4'-P-C4' energy: -63.757
flat angles P-C4'-P energy: -48.232
tors. eta vs tors. theta energy: -73.056
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: 10, replica: 6
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -824.245068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.245068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.551523 (E_RNA)
where:
Base-Base interactions energy: -593.913
where: short stacking energy: -217.452
Base-Backbone interact. energy: -2.433
local terms energy: -241.205516
where:
bonds (distance) C4'-P energy: -48.096
bonds (distance) P-C4' energy: -45.293
flat angles C4'-P-C4' energy: -63.318
flat angles P-C4'-P energy: -37.496
tors. eta vs tors. theta energy: -47.003
Dist. restrs. and SS energy: 13.306 (S_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: 66
Temperature: 0.900000
Total energy: -1251.396825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.396825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.546670 (E_RNA)
where:
Base-Base interactions energy: -874.727
where: short stacking energy: -355.001
Base-Backbone interact. energy: -2.566
local terms energy: -377.253313
where:
bonds (distance) C4'-P energy: -65.056
bonds (distance) P-C4' energy: -75.033
flat angles C4'-P-C4' energy: -81.889
flat angles P-C4'-P energy: -45.310
tors. eta vs tors. theta energy: -109.965
Dist. restrs. and SS energy: 3.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1179.750464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.750464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.865115 (E_RNA)
where:
Base-Base interactions energy: -837.174
where: short stacking energy: -343.177
Base-Backbone interact. energy: 3.283
local terms energy: -351.974911
where:
bonds (distance) C4'-P energy: -68.915
bonds (distance) P-C4' energy: -72.794
flat angles C4'-P-C4' energy: -72.741
flat angles P-C4'-P energy: -45.000
tors. eta vs tors. theta energy: -92.525
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: 3, replica: 7
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1168.758567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.758567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.636401 (E_RNA)
where:
Base-Base interactions energy: -825.865
where: short stacking energy: -334.233
Base-Backbone interact. energy: -4.105
local terms energy: -342.666813
where:
bonds (distance) C4'-P energy: -49.801
bonds (distance) P-C4' energy: -65.533
flat angles C4'-P-C4' energy: -79.654
flat angles P-C4'-P energy: -54.881
tors. eta vs tors. theta energy: -92.798
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: 4, replica: 10
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1097.790622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.790622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.866957 (E_RNA)
where:
Base-Base interactions energy: -770.185
where: short stacking energy: -302.485
Base-Backbone interact. energy: -2.270
local terms energy: -328.411322
where:
bonds (distance) C4'-P energy: -75.957
bonds (distance) P-C4' energy: -53.780
flat angles C4'-P-C4' energy: -63.480
flat angles P-C4'-P energy: -52.091
tors. eta vs tors. theta energy: -83.104
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: 5, replica: 5
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1057.960479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.960479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.449399 (E_RNA)
where:
Base-Base interactions energy: -738.913
where: short stacking energy: -303.141
Base-Backbone interact. energy: -2.893
local terms energy: -320.643103
where:
bonds (distance) C4'-P energy: -63.397
bonds (distance) P-C4' energy: -64.310
flat angles C4'-P-C4' energy: -78.235
flat angles P-C4'-P energy: -40.624
tors. eta vs tors. theta energy: -74.077
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: 3
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1045.191020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.191020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.418670 (E_RNA)
where:
Base-Base interactions energy: -722.847
where: short stacking energy: -302.844
Base-Backbone interact. energy: -0.849
local terms energy: -327.722578
where:
bonds (distance) C4'-P energy: -62.374
bonds (distance) P-C4' energy: -61.340
flat angles C4'-P-C4' energy: -66.844
flat angles P-C4'-P energy: -48.911
tors. eta vs tors. theta energy: -88.254
Dist. restrs. and SS energy: 6.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -973.530278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.530278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.951892 (E_RNA)
where:
Base-Base interactions energy: -696.490
where: short stacking energy: -276.473
Base-Backbone interact. energy: -0.189
local terms energy: -280.272333
where:
bonds (distance) C4'-P energy: -58.666
bonds (distance) P-C4' energy: -55.655
flat angles C4'-P-C4' energy: -59.395
flat angles P-C4'-P energy: -43.398
tors. eta vs tors. theta energy: -63.159
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: 8, replica: 4
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -965.190722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.190722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.591501 (E_RNA)
where:
Base-Base interactions energy: -689.541
where: short stacking energy: -268.519
Base-Backbone interact. energy: -1.537
local terms energy: -278.513880
where:
bonds (distance) C4'-P energy: -56.323
bonds (distance) P-C4' energy: -53.764
flat angles C4'-P-C4' energy: -66.515
flat angles P-C4'-P energy: -44.135
tors. eta vs tors. theta energy: -57.776
Dist. restrs. and SS energy: 4.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -920.092935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.092935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.420860 (E_RNA)
where:
Base-Base interactions energy: -646.096
where: short stacking energy: -263.775
Base-Backbone interact. energy: -0.243
local terms energy: -275.082229
where:
bonds (distance) C4'-P energy: -55.705
bonds (distance) P-C4' energy: -51.031
flat angles C4'-P-C4' energy: -68.924
flat angles P-C4'-P energy: -39.877
tors. eta vs tors. theta energy: -59.546
Dist. restrs. and SS energy: 1.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -796.380132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.380132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.524988 (E_RNA)
where:
Base-Base interactions energy: -545.187
where: short stacking energy: -210.165
Base-Backbone interact. energy: -1.615
local terms energy: -264.723318
where:
bonds (distance) C4'-P energy: -68.188
bonds (distance) P-C4' energy: -50.441
flat angles C4'-P-C4' energy: -67.255
flat angles P-C4'-P energy: -33.022
tors. eta vs tors. theta energy: -45.817
Dist. restrs. and SS energy: 15.145 (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: 8
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1260.001209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.001209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.632081 (E_RNA)
where:
Base-Base interactions energy: -874.188
where: short stacking energy: -369.149
Base-Backbone interact. energy: -0.650
local terms energy: -387.794259
where:
bonds (distance) C4'-P energy: -69.471
bonds (distance) P-C4' energy: -71.041
flat angles C4'-P-C4' energy: -82.859
flat angles P-C4'-P energy: -56.787
tors. eta vs tors. theta energy: -107.637
Dist. restrs. and SS energy: 2.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1204.135707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.135707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.735233 (E_RNA)
where:
Base-Base interactions energy: -847.255
where: short stacking energy: -338.461
Base-Backbone interact. energy: -2.613
local terms energy: -358.867342
where:
bonds (distance) C4'-P energy: -69.115
bonds (distance) P-C4' energy: -64.170
flat angles C4'-P-C4' energy: -79.216
flat angles P-C4'-P energy: -49.622
tors. eta vs tors. theta energy: -96.745
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: 3, replica: 7
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1175.135784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.135784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.023138 (E_RNA)
where:
Base-Base interactions energy: -824.502
where: short stacking energy: -355.862
Base-Backbone interact. energy: -0.663
local terms energy: -350.857448
where:
bonds (distance) C4'-P energy: -54.440
bonds (distance) P-C4' energy: -61.417
flat angles C4'-P-C4' energy: -83.381
flat angles P-C4'-P energy: -49.703
tors. eta vs tors. theta energy: -101.917
Dist. restrs. and SS energy: 0.887 (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: 67
Temperature: 1.050000
Total energy: -1102.235135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.235135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.976168 (E_RNA)
where:
Base-Base interactions energy: -769.987
where: short stacking energy: -305.890
Base-Backbone interact. energy: -0.861
local terms energy: -334.127799
where:
bonds (distance) C4'-P energy: -68.837
bonds (distance) P-C4' energy: -66.072
flat angles C4'-P-C4' energy: -73.042
flat angles P-C4'-P energy: -46.796
tors. eta vs tors. theta energy: -79.380
Dist. restrs. and SS energy: 2.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1075.806834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.806834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.047096 (E_RNA)
where:
Base-Base interactions energy: -739.246
where: short stacking energy: -297.931
Base-Backbone interact. energy: 0.581
local terms energy: -340.381543
where:
bonds (distance) C4'-P energy: -70.391
bonds (distance) P-C4' energy: -63.489
flat angles C4'-P-C4' energy: -74.639
flat angles P-C4'-P energy: -49.971
tors. eta vs tors. theta energy: -81.891
Dist. restrs. and SS energy: 3.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1018.611540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.611540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.948439 (E_RNA)
where:
Base-Base interactions energy: -721.513
where: short stacking energy: -313.937
Base-Backbone interact. energy: -3.159
local terms energy: -298.276045
where:
bonds (distance) C4'-P energy: -44.668
bonds (distance) P-C4' energy: -65.174
flat angles C4'-P-C4' energy: -72.609
flat angles P-C4'-P energy: -40.603
tors. eta vs tors. theta energy: -75.222
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: 7, replica: 1
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -973.833711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.833711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.382195 (E_RNA)
where:
Base-Base interactions energy: -687.698
where: short stacking energy: -280.064
Base-Backbone interact. energy: -1.198
local terms energy: -286.486402
where:
bonds (distance) C4'-P energy: -59.780
bonds (distance) P-C4' energy: -58.167
flat angles C4'-P-C4' energy: -68.830
flat angles P-C4'-P energy: -23.328
tors. eta vs tors. theta energy: -76.382
Dist. restrs. and SS energy: 1.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -907.911070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.911070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.040496 (E_RNA)
where:
Base-Base interactions energy: -643.448
where: short stacking energy: -260.544
Base-Backbone interact. energy: -0.534
local terms energy: -266.059164
where:
bonds (distance) C4'-P energy: -44.482
bonds (distance) P-C4' energy: -53.438
flat angles C4'-P-C4' energy: -63.621
flat angles P-C4'-P energy: -43.815
tors. eta vs tors. theta energy: -60.703
Dist. restrs. and SS energy: 2.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -904.683309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.683309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.532688 (E_RNA)
where:
Base-Base interactions energy: -642.863
where: short stacking energy: -237.885
Base-Backbone interact. energy: 0.041
local terms energy: -265.710711
where:
bonds (distance) C4'-P energy: -71.214
bonds (distance) P-C4' energy: -56.286
flat angles C4'-P-C4' energy: -55.124
flat angles P-C4'-P energy: -31.114
tors. eta vs tors. theta energy: -51.973
Dist. restrs. and SS energy: 3.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -824.957307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.957307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.109512 (E_RNA)
where:
Base-Base interactions energy: -565.129
where: short stacking energy: -224.255
Base-Backbone interact. energy: -0.570
local terms energy: -267.410330
where:
bonds (distance) C4'-P energy: -57.828
bonds (distance) P-C4' energy: -59.827
flat angles C4'-P-C4' energy: -52.684
flat angles P-C4'-P energy: -42.442
tors. eta vs tors. theta energy: -54.629
Dist. restrs. and SS energy: 8.152 (S_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: 68
Temperature: 0.900000
Total energy: -1261.240922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.240922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.889243 (E_RNA)
where:
Base-Base interactions energy: -863.579
where: short stacking energy: -354.901
Base-Backbone interact. energy: -1.852
local terms energy: -400.457779
where:
bonds (distance) C4'-P energy: -71.958
bonds (distance) P-C4' energy: -74.088
flat angles C4'-P-C4' energy: -80.676
flat angles P-C4'-P energy: -63.011
tors. eta vs tors. theta energy: -110.725
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: 9
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1220.587150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.587150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.953318 (E_RNA)
where:
Base-Base interactions energy: -848.722
where: short stacking energy: -339.670
Base-Backbone interact. energy: -0.783
local terms energy: -376.448145
where:
bonds (distance) C4'-P energy: -70.047
bonds (distance) P-C4' energy: -71.435
flat angles C4'-P-C4' energy: -77.684
flat angles P-C4'-P energy: -52.967
tors. eta vs tors. theta energy: -104.315
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: 7
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1173.883156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.883156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.165124 (E_RNA)
where:
Base-Base interactions energy: -824.676
where: short stacking energy: -334.148
Base-Backbone interact. energy: -1.131
local terms energy: -348.358683
where:
bonds (distance) C4'-P energy: -64.968
bonds (distance) P-C4' energy: -79.514
flat angles C4'-P-C4' energy: -60.038
flat angles P-C4'-P energy: -50.956
tors. eta vs tors. theta energy: -92.883
Dist. restrs. and SS energy: 0.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1099.039124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.039124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.247518 (E_RNA)
where:
Base-Base interactions energy: -756.251
where: short stacking energy: -319.759
Base-Backbone interact. energy: -2.893
local terms energy: -344.104353
where:
bonds (distance) C4'-P energy: -61.473
bonds (distance) P-C4' energy: -66.980
flat angles C4'-P-C4' energy: -70.301
flat angles P-C4'-P energy: -55.922
tors. eta vs tors. theta energy: -89.428
Dist. restrs. and SS energy: 4.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1095.139299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.139299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.390651 (E_RNA)
where:
Base-Base interactions energy: -776.896
where: short stacking energy: -295.881
Base-Backbone interact. energy: -1.827
local terms energy: -319.668022
where:
bonds (distance) C4'-P energy: -60.635
bonds (distance) P-C4' energy: -52.624
flat angles C4'-P-C4' energy: -69.060
flat angles P-C4'-P energy: -53.198
tors. eta vs tors. theta energy: -84.152
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: 6, replica: 3
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1024.251129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.251129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.364079 (E_RNA)
where:
Base-Base interactions energy: -712.806
where: short stacking energy: -286.906
Base-Backbone interact. energy: -2.768
local terms energy: -312.790392
where:
bonds (distance) C4'-P energy: -59.078
bonds (distance) P-C4' energy: -72.084
flat angles C4'-P-C4' energy: -75.059
flat angles P-C4'-P energy: -28.369
tors. eta vs tors. theta energy: -78.201
Dist. restrs. and SS energy: 4.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -938.992805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.992805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.236618 (E_RNA)
where:
Base-Base interactions energy: -652.686
where: short stacking energy: -269.024
Base-Backbone interact. energy: -1.145
local terms energy: -288.405531
where:
bonds (distance) C4'-P energy: -63.913
bonds (distance) P-C4' energy: -57.404
flat angles C4'-P-C4' energy: -66.593
flat angles P-C4'-P energy: -42.699
tors. eta vs tors. theta energy: -57.797
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: 1
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -949.838106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.838106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.454830 (E_RNA)
where:
Base-Base interactions energy: -671.002
where: short stacking energy: -263.823
Base-Backbone interact. energy: -1.660
local terms energy: -283.792488
where:
bonds (distance) C4'-P energy: -53.752
bonds (distance) P-C4' energy: -53.242
flat angles C4'-P-C4' energy: -70.739
flat angles P-C4'-P energy: -31.522
tors. eta vs tors. theta energy: -74.538
Dist. restrs. and SS energy: 6.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -913.717608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.717608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.401828 (E_RNA)
where:
Base-Base interactions energy: -654.066
where: short stacking energy: -265.506
Base-Backbone interact. energy: -1.127
local terms energy: -262.208215
where:
bonds (distance) C4'-P energy: -50.259
bonds (distance) P-C4' energy: -65.267
flat angles C4'-P-C4' energy: -40.247
flat angles P-C4'-P energy: -41.732
tors. eta vs tors. theta energy: -64.702
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: 10, replica: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -811.596912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.596912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.978683 (E_RNA)
where:
Base-Base interactions energy: -587.473
where: short stacking energy: -227.552
Base-Backbone interact. energy: 1.736
local terms energy: -233.240861
where:
bonds (distance) C4'-P energy: -49.139
bonds (distance) P-C4' energy: -49.560
flat angles C4'-P-C4' energy: -49.839
flat angles P-C4'-P energy: -30.800
tors. eta vs tors. theta energy: -53.902
Dist. restrs. and SS energy: 7.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1280.284955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.284955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.618209 (E_RNA)
where:
Base-Base interactions energy: -894.091
where: short stacking energy: -368.292
Base-Backbone interact. energy: -0.676
local terms energy: -387.851644
where:
bonds (distance) C4'-P energy: -75.979
bonds (distance) P-C4' energy: -63.610
flat angles C4'-P-C4' energy: -80.649
flat angles P-C4'-P energy: -58.991
tors. eta vs tors. theta energy: -108.623
Dist. restrs. and SS energy: 2.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1240.076619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.076619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.060327 (E_RNA)
where:
Base-Base interactions energy: -875.274
where: short stacking energy: -346.985
Base-Backbone interact. energy: -2.274
local terms energy: -366.512520
where:
bonds (distance) C4'-P energy: -71.174
bonds (distance) P-C4' energy: -64.480
flat angles C4'-P-C4' energy: -71.560
flat angles P-C4'-P energy: -55.219
tors. eta vs tors. theta energy: -104.079
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: 3, replica: 7
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1153.766306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.766306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.411724 (E_RNA)
where:
Base-Base interactions energy: -795.747
where: short stacking energy: -334.197
Base-Backbone interact. energy: -1.100
local terms energy: -357.564315
where:
bonds (distance) C4'-P energy: -66.456
bonds (distance) P-C4' energy: -66.566
flat angles C4'-P-C4' energy: -76.035
flat angles P-C4'-P energy: -56.109
tors. eta vs tors. theta energy: -92.399
Dist. restrs. and SS energy: 0.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1156.864318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.864318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.361250 (E_RNA)
where:
Base-Base interactions energy: -816.463
where: short stacking energy: -332.184
Base-Backbone interact. energy: 3.338
local terms energy: -346.236607
where:
bonds (distance) C4'-P energy: -62.182
bonds (distance) P-C4' energy: -70.188
flat angles C4'-P-C4' energy: -60.145
flat angles P-C4'-P energy: -57.954
tors. eta vs tors. theta energy: -95.768
Dist. restrs. and SS energy: 2.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1070.808994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.808994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.116067 (E_RNA)
where:
Base-Base interactions energy: -735.386
where: short stacking energy: -293.621
Base-Backbone interact. energy: -2.190
local terms energy: -337.540159
where:
bonds (distance) C4'-P energy: -66.573
bonds (distance) P-C4' energy: -71.091
flat angles C4'-P-C4' energy: -64.639
flat angles P-C4'-P energy: -45.305
tors. eta vs tors. theta energy: -89.932
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: 6, replica: 3
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1040.845393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.845393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.210968 (E_RNA)
where:
Base-Base interactions energy: -720.667
where: short stacking energy: -295.667
Base-Backbone interact. energy: -2.962
local terms energy: -320.582332
where:
bonds (distance) C4'-P energy: -56.309
bonds (distance) P-C4' energy: -70.281
flat angles C4'-P-C4' energy: -61.134
flat angles P-C4'-P energy: -48.612
tors. eta vs tors. theta energy: -84.246
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: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -936.198119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.198119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.063451 (E_RNA)
where:
Base-Base interactions energy: -650.359
where: short stacking energy: -250.009
Base-Backbone interact. energy: -2.828
local terms energy: -289.876094
where:
bonds (distance) C4'-P energy: -62.692
bonds (distance) P-C4' energy: -69.285
flat angles C4'-P-C4' energy: -69.630
flat angles P-C4'-P energy: -39.911
tors. eta vs tors. theta energy: -48.359
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: 8, replica: 4
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -974.160534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.160534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.590839 (E_RNA)
where:
Base-Base interactions energy: -675.337
where: short stacking energy: -245.244
Base-Backbone interact. energy: 0.459
local terms energy: -304.712686
where:
bonds (distance) C4'-P energy: -67.202
bonds (distance) P-C4' energy: -45.988
flat angles C4'-P-C4' energy: -71.571
flat angles P-C4'-P energy: -50.324
tors. eta vs tors. theta energy: -69.628
Dist. restrs. and SS energy: 5.430 (S_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: 69
Temperature: 1.300000
Total energy: -908.194392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.194392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.579167 (E_RNA)
where:
Base-Base interactions energy: -616.905
where: short stacking energy: -231.050
Base-Backbone interact. energy: -0.384
local terms energy: -295.290249
where:
bonds (distance) C4'-P energy: -58.200
bonds (distance) P-C4' energy: -73.145
flat angles C4'-P-C4' energy: -64.024
flat angles P-C4'-P energy: -46.706
tors. eta vs tors. theta energy: -53.216
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: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -839.890065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.890065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.279725 (E_RNA)
where:
Base-Base interactions energy: -594.496
where: short stacking energy: -235.893
Base-Backbone interact. energy: -1.110
local terms energy: -257.674351
where:
bonds (distance) C4'-P energy: -46.476
bonds (distance) P-C4' energy: -63.283
flat angles C4'-P-C4' energy: -62.205
flat angles P-C4'-P energy: -35.288
tors. eta vs tors. theta energy: -50.421
Dist. restrs. and SS energy: 13.390 (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: 8
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1268.853202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.853202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.926230 (E_RNA)
where:
Base-Base interactions energy: -878.818
where: short stacking energy: -374.863
Base-Backbone interact. energy: -1.437
local terms energy: -391.671868
where:
bonds (distance) C4'-P energy: -71.995
bonds (distance) P-C4' energy: -67.653
flat angles C4'-P-C4' energy: -81.563
flat angles P-C4'-P energy: -58.813
tors. eta vs tors. theta energy: -111.648
Dist. restrs. and SS energy: 3.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1213.261023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.261023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.904408 (E_RNA)
where:
Base-Base interactions energy: -853.681
where: short stacking energy: -352.468
Base-Backbone interact. energy: 0.429
local terms energy: -364.652260
where:
bonds (distance) C4'-P energy: -67.779
bonds (distance) P-C4' energy: -67.950
flat angles C4'-P-C4' energy: -74.136
flat angles P-C4'-P energy: -54.954
tors. eta vs tors. theta energy: -99.834
Dist. restrs. and SS energy: 4.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1151.366753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.366753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.017705 (E_RNA)
where:
Base-Base interactions energy: -803.790
where: short stacking energy: -317.915
Base-Backbone interact. energy: -1.346
local terms energy: -346.882273
where:
bonds (distance) C4'-P energy: -78.120
bonds (distance) P-C4' energy: -66.453
flat angles C4'-P-C4' energy: -70.739
flat angles P-C4'-P energy: -54.008
tors. eta vs tors. theta energy: -77.563
Dist. restrs. and SS energy: 0.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1164.015730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.015730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.591637 (E_RNA)
where:
Base-Base interactions energy: -820.950
where: short stacking energy: -331.268
Base-Backbone interact. energy: -1.212
local terms energy: -345.428949
where:
bonds (distance) C4'-P energy: -65.464
bonds (distance) P-C4' energy: -64.185
flat angles C4'-P-C4' energy: -67.098
flat angles P-C4'-P energy: -47.012
tors. eta vs tors. theta energy: -101.669
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: 5, replica: 5
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1084.088347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.088347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.519306 (E_RNA)
where:
Base-Base interactions energy: -775.108
where: short stacking energy: -319.006
Base-Backbone interact. energy: -0.452
local terms energy: -312.958986
where:
bonds (distance) C4'-P energy: -60.721
bonds (distance) P-C4' energy: -50.948
flat angles C4'-P-C4' energy: -67.458
flat angles P-C4'-P energy: -49.306
tors. eta vs tors. theta energy: -84.526
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: 6, replica: 3
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1043.327134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.327134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.781474 (E_RNA)
where:
Base-Base interactions energy: -725.012
where: short stacking energy: -289.576
Base-Backbone interact. energy: -2.116
local terms energy: -321.653376
where:
bonds (distance) C4'-P energy: -54.575
bonds (distance) P-C4' energy: -64.171
flat angles C4'-P-C4' energy: -67.445
flat angles P-C4'-P energy: -56.795
tors. eta vs tors. theta energy: -78.668
Dist. restrs. and SS energy: 5.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -934.258366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.258366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.138232 (E_RNA)
where:
Base-Base interactions energy: -651.910
where: short stacking energy: -248.240
Base-Backbone interact. energy: 0.496
local terms energy: -288.724760
where:
bonds (distance) C4'-P energy: -54.738
bonds (distance) P-C4' energy: -63.946
flat angles C4'-P-C4' energy: -63.386
flat angles P-C4'-P energy: -44.923
tors. eta vs tors. theta energy: -61.731
Dist. restrs. and SS energy: 5.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -928.776345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.776345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.398922 (E_RNA)
where:
Base-Base interactions energy: -641.637
where: short stacking energy: -252.708
Base-Backbone interact. energy: 1.440
local terms energy: -293.201613
where:
bonds (distance) C4'-P energy: -57.857
bonds (distance) P-C4' energy: -69.647
flat angles C4'-P-C4' energy: -65.766
flat angles P-C4'-P energy: -40.150
tors. eta vs tors. theta energy: -59.781
Dist. restrs. and SS energy: 4.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -930.501784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.501784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.900796 (E_RNA)
where:
Base-Base interactions energy: -667.027
where: short stacking energy: -271.369
Base-Backbone interact. energy: -0.771
local terms energy: -267.102882
where:
bonds (distance) C4'-P energy: -41.813
bonds (distance) P-C4' energy: -50.534
flat angles C4'-P-C4' energy: -70.584
flat angles P-C4'-P energy: -36.636
tors. eta vs tors. theta energy: -67.536
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: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -877.650478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.650478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.504104 (E_RNA)
where:
Base-Base interactions energy: -627.476
where: short stacking energy: -240.204
Base-Backbone interact. energy: -1.123
local terms energy: -254.904773
where:
bonds (distance) C4'-P energy: -47.743
bonds (distance) P-C4' energy: -49.946
flat angles C4'-P-C4' energy: -50.698
flat angles P-C4'-P energy: -42.213
tors. eta vs tors. theta energy: -64.305
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: 8
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1267.719107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.719107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.687878 (E_RNA)
where:
Base-Base interactions energy: -886.859
where: short stacking energy: -376.485
Base-Backbone interact. energy: -2.157
local terms energy: -383.672196
where:
bonds (distance) C4'-P energy: -68.306
bonds (distance) P-C4' energy: -72.501
flat angles C4'-P-C4' energy: -87.046
flat angles P-C4'-P energy: -47.240
tors. eta vs tors. theta energy: -108.579
Dist. restrs. and SS energy: 4.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1205.972896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.972896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.640091 (E_RNA)
where:
Base-Base interactions energy: -846.546
where: short stacking energy: -358.276
Base-Backbone interact. energy: -2.027
local terms energy: -362.066912
where:
bonds (distance) C4'-P energy: -69.051
bonds (distance) P-C4' energy: -61.904
flat angles C4'-P-C4' energy: -72.564
flat angles P-C4'-P energy: -60.960
tors. eta vs tors. theta energy: -97.588
Dist. restrs. and SS energy: 4.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1159.179247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.179247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.155816 (E_RNA)
where:
Base-Base interactions energy: -811.108
where: short stacking energy: -311.971
Base-Backbone interact. energy: -0.367
local terms energy: -349.680055
where:
bonds (distance) C4'-P energy: -70.058
bonds (distance) P-C4' energy: -69.657
flat angles C4'-P-C4' energy: -72.933
flat angles P-C4'-P energy: -55.588
tors. eta vs tors. theta energy: -81.443
Dist. restrs. and SS energy: 1.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1139.939795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.939795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.848162 (E_RNA)
where:
Base-Base interactions energy: -782.075
where: short stacking energy: -326.851
Base-Backbone interact. energy: -0.708
local terms energy: -361.065307
where:
bonds (distance) C4'-P energy: -67.646
bonds (distance) P-C4' energy: -72.090
flat angles C4'-P-C4' energy: -74.838
flat angles P-C4'-P energy: -52.346
tors. eta vs tors. theta energy: -94.146
Dist. restrs. and SS energy: 3.908 (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: 5
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1063.934894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.934894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.327517 (E_RNA)
where:
Base-Base interactions energy: -746.663
where: short stacking energy: -315.171
Base-Backbone interact. energy: -0.843
local terms energy: -319.821035
where:
bonds (distance) C4'-P energy: -61.333
bonds (distance) P-C4' energy: -63.415
flat angles C4'-P-C4' energy: -56.629
flat angles P-C4'-P energy: -53.734
tors. eta vs tors. theta energy: -84.709
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: 6, replica: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -987.588973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.588973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.483943 (E_RNA)
where:
Base-Base interactions energy: -681.815
where: short stacking energy: -283.616
Base-Backbone interact. energy: -0.284
local terms energy: -310.385173
where:
bonds (distance) C4'-P energy: -58.110
bonds (distance) P-C4' energy: -67.120
flat angles C4'-P-C4' energy: -68.985
flat angles P-C4'-P energy: -52.228
tors. eta vs tors. theta energy: -63.942
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: 7, replica: 3
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1024.750822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.750822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.037597 (E_RNA)
where:
Base-Base interactions energy: -706.658
where: short stacking energy: -286.139
Base-Backbone interact. energy: -3.531
local terms energy: -316.848082
where:
bonds (distance) C4'-P energy: -73.245
bonds (distance) P-C4' energy: -57.699
flat angles C4'-P-C4' energy: -66.325
flat angles P-C4'-P energy: -47.146
tors. eta vs tors. theta energy: -72.432
Dist. restrs. and SS energy: 2.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -966.346196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.346196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.406244 (E_RNA)
where:
Base-Base interactions energy: -678.784
where: short stacking energy: -278.706
Base-Backbone interact. energy: 1.730
local terms energy: -294.352458
where:
bonds (distance) C4'-P energy: -54.792
bonds (distance) P-C4' energy: -67.032
flat angles C4'-P-C4' energy: -70.047
flat angles P-C4'-P energy: -34.921
tors. eta vs tors. theta energy: -67.560
Dist. restrs. and SS energy: 5.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -911.868507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.868507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.785413 (E_RNA)
where:
Base-Base interactions energy: -643.840
where: short stacking energy: -264.415
Base-Backbone interact. energy: 1.626
local terms energy: -273.571625
where:
bonds (distance) C4'-P energy: -48.684
bonds (distance) P-C4' energy: -53.654
flat angles C4'-P-C4' energy: -70.442
flat angles P-C4'-P energy: -30.927
tors. eta vs tors. theta energy: -69.864
Dist. restrs. and SS energy: 3.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -849.025969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.025969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.050039 (E_RNA)
where:
Base-Base interactions energy: -598.940
where: short stacking energy: -242.410
Base-Backbone interact. energy: 1.968
local terms energy: -257.077880
where:
bonds (distance) C4'-P energy: -52.920
bonds (distance) P-C4' energy: -61.203
flat angles C4'-P-C4' energy: -55.066
flat angles P-C4'-P energy: -31.502
tors. eta vs tors. theta energy: -56.387
Dist. restrs. and SS energy: 5.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1264.760713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.760713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.620212 (E_RNA)
where:
Base-Base interactions energy: -885.909
where: short stacking energy: -358.577
Base-Backbone interact. energy: -1.255
local terms energy: -381.456294
where:
bonds (distance) C4'-P energy: -61.508
bonds (distance) P-C4' energy: -78.370
flat angles C4'-P-C4' energy: -78.098
flat angles P-C4'-P energy: -57.399
tors. eta vs tors. theta energy: -106.082
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: 2, replica: 9
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1154.010942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.010942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.697473 (E_RNA)
where:
Base-Base interactions energy: -805.098
where: short stacking energy: -341.104
Base-Backbone interact. energy: -1.682
local terms energy: -353.917495
where:
bonds (distance) C4'-P energy: -68.994
bonds (distance) P-C4' energy: -63.620
flat angles C4'-P-C4' energy: -74.943
flat angles P-C4'-P energy: -51.159
tors. eta vs tors. theta energy: -95.202
Dist. restrs. and SS energy: 6.687 (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: 10
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1192.086164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.086164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.475289 (E_RNA)
where:
Base-Base interactions energy: -822.235
where: short stacking energy: -350.355
Base-Backbone interact. energy: -0.296
local terms energy: -372.944667
where:
bonds (distance) C4'-P energy: -67.092
bonds (distance) P-C4' energy: -66.237
flat angles C4'-P-C4' energy: -80.630
flat angles P-C4'-P energy: -57.433
tors. eta vs tors. theta energy: -101.553
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: 7
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1113.486072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.486072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.389227 (E_RNA)
where:
Base-Base interactions energy: -770.224
where: short stacking energy: -319.980
Base-Backbone interact. energy: -0.150
local terms energy: -344.014788
where:
bonds (distance) C4'-P energy: -64.574
bonds (distance) P-C4' energy: -61.664
flat angles C4'-P-C4' energy: -70.817
flat angles P-C4'-P energy: -52.842
tors. eta vs tors. theta energy: -94.118
Dist. restrs. and SS energy: 0.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1091.627574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.627574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.639088 (E_RNA)
where:
Base-Base interactions energy: -786.232
where: short stacking energy: -329.570
Base-Backbone interact. energy: -0.637
local terms energy: -308.769973
where:
bonds (distance) C4'-P energy: -66.839
bonds (distance) P-C4' energy: -57.264
flat angles C4'-P-C4' energy: -65.704
flat angles P-C4'-P energy: -31.802
tors. eta vs tors. theta energy: -87.160
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: 6, replica: 2
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1009.135291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.135291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.489568 (E_RNA)
where:
Base-Base interactions energy: -709.811
where: short stacking energy: -276.548
Base-Backbone interact. energy: 0.460
local terms energy: -306.138798
where:
bonds (distance) C4'-P energy: -61.304
bonds (distance) P-C4' energy: -60.581
flat angles C4'-P-C4' energy: -74.906
flat angles P-C4'-P energy: -46.206
tors. eta vs tors. theta energy: -63.142
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: 7, replica: 1
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1000.646538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.646538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.562439 (E_RNA)
where:
Base-Base interactions energy: -718.576
where: short stacking energy: -271.996
Base-Backbone interact. energy: -1.849
local terms energy: -285.136922
where:
bonds (distance) C4'-P energy: -56.552
bonds (distance) P-C4' energy: -60.147
flat angles C4'-P-C4' energy: -51.729
flat angles P-C4'-P energy: -43.886
tors. eta vs tors. theta energy: -72.823
Dist. restrs. and SS energy: 4.916 (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: 3
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -970.297301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.297301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.653520 (E_RNA)
where:
Base-Base interactions energy: -685.827
where: short stacking energy: -285.799
Base-Backbone interact. energy: -3.704
local terms energy: -284.122666
where:
bonds (distance) C4'-P energy: -50.813
bonds (distance) P-C4' energy: -64.941
flat angles C4'-P-C4' energy: -69.008
flat angles P-C4'-P energy: -31.671
tors. eta vs tors. theta energy: -67.691
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: 9, replica: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -889.824997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.824997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.523936 (E_RNA)
where:
Base-Base interactions energy: -616.572
where: short stacking energy: -246.610
Base-Backbone interact. energy: -1.608
local terms energy: -277.343575
where:
bonds (distance) C4'-P energy: -60.951
bonds (distance) P-C4' energy: -59.999
flat angles C4'-P-C4' energy: -63.302
flat angles P-C4'-P energy: -36.987
tors. eta vs tors. theta energy: -56.104
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: 10, replica: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -837.464192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.464192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.564221 (E_RNA)
where:
Base-Base interactions energy: -606.918
where: short stacking energy: -243.224
Base-Backbone interact. energy: 0.449
local terms energy: -242.095369
where:
bonds (distance) C4'-P energy: -42.550
bonds (distance) P-C4' energy: -62.735
flat angles C4'-P-C4' energy: -50.718
flat angles P-C4'-P energy: -40.530
tors. eta vs tors. theta energy: -45.562
Dist. restrs. and SS energy: 11.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1256.376245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.376245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.249752 (E_RNA)
where:
Base-Base interactions energy: -877.792
where: short stacking energy: -375.490
Base-Backbone interact. energy: -0.391
local terms energy: -381.066657
where:
bonds (distance) C4'-P energy: -67.430
bonds (distance) P-C4' energy: -72.914
flat angles C4'-P-C4' energy: -73.226
flat angles P-C4'-P energy: -57.797
tors. eta vs tors. theta energy: -109.700
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: 2, replica: 10
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1239.669695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.669695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.822071 (E_RNA)
where:
Base-Base interactions energy: -853.064
where: short stacking energy: -359.683
Base-Backbone interact. energy: -0.701
local terms energy: -388.056498
where:
bonds (distance) C4'-P energy: -64.113
bonds (distance) P-C4' energy: -68.779
flat angles C4'-P-C4' energy: -82.950
flat angles P-C4'-P energy: -63.073
tors. eta vs tors. theta energy: -109.141
Dist. restrs. and SS energy: 2.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1155.795901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.795901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.477397 (E_RNA)
where:
Base-Base interactions energy: -820.872
where: short stacking energy: -336.085
Base-Backbone interact. energy: -0.672
local terms energy: -339.933758
where:
bonds (distance) C4'-P energy: -60.649
bonds (distance) P-C4' energy: -69.784
flat angles C4'-P-C4' energy: -68.990
flat angles P-C4'-P energy: -48.549
tors. eta vs tors. theta energy: -91.962
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: 4, replica: 5
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1089.837016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.837016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.809290 (E_RNA)
where:
Base-Base interactions energy: -775.944
where: short stacking energy: -314.333
Base-Backbone interact. energy: -0.752
local terms energy: -317.113523
where:
bonds (distance) C4'-P energy: -59.483
bonds (distance) P-C4' energy: -61.817
flat angles C4'-P-C4' energy: -66.351
flat angles P-C4'-P energy: -49.550
tors. eta vs tors. theta energy: -79.913
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: 5, replica: 7
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1085.470304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.470304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.136189 (E_RNA)
where:
Base-Base interactions energy: -753.398
where: short stacking energy: -300.464
Base-Backbone interact. energy: -1.609
local terms energy: -332.129448
where:
bonds (distance) C4'-P energy: -73.181
bonds (distance) P-C4' energy: -63.288
flat angles C4'-P-C4' energy: -71.341
flat angles P-C4'-P energy: -46.984
tors. eta vs tors. theta energy: -77.335
Dist. restrs. and SS energy: 1.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1057.423349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.423349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.099936 (E_RNA)
where:
Base-Base interactions energy: -730.777
where: short stacking energy: -302.538
Base-Backbone interact. energy: 1.296
local terms energy: -329.618906
where:
bonds (distance) C4'-P energy: -62.071
bonds (distance) P-C4' energy: -72.759
flat angles C4'-P-C4' energy: -70.752
flat angles P-C4'-P energy: -41.299
tors. eta vs tors. theta energy: -82.738
Dist. restrs. and SS energy: 1.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -974.963635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.963635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.338764 (E_RNA)
where:
Base-Base interactions energy: -655.456
where: short stacking energy: -272.271
Base-Backbone interact. energy: -0.681
local terms energy: -326.201919
where:
bonds (distance) C4'-P energy: -63.438
bonds (distance) P-C4' energy: -68.601
flat angles C4'-P-C4' energy: -68.208
flat angles P-C4'-P energy: -53.848
tors. eta vs tors. theta energy: -72.108
Dist. restrs. and SS energy: 7.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -973.025167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.025167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.781745 (E_RNA)
where:
Base-Base interactions energy: -700.219
where: short stacking energy: -268.416
Base-Backbone interact. energy: -2.050
local terms energy: -275.513087
where:
bonds (distance) C4'-P energy: -51.095
bonds (distance) P-C4' energy: -55.232
flat angles C4'-P-C4' energy: -57.221
flat angles P-C4'-P energy: -39.944
tors. eta vs tors. theta energy: -72.021
Dist. restrs. and SS energy: 4.757 (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: 4
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -902.070617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.070617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.568917 (E_RNA)
where:
Base-Base interactions energy: -639.721
where: short stacking energy: -249.643
Base-Backbone interact. energy: 0.529
local terms energy: -267.376427
where:
bonds (distance) C4'-P energy: -44.232
bonds (distance) P-C4' energy: -58.868
flat angles C4'-P-C4' energy: -58.589
flat angles P-C4'-P energy: -40.373
tors. eta vs tors. theta energy: -65.313
Dist. restrs. and SS energy: 4.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -838.080936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.080936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.827777 (E_RNA)
where:
Base-Base interactions energy: -582.404
where: short stacking energy: -225.307
Base-Backbone interact. energy: -1.359
local terms energy: -259.064330
where:
bonds (distance) C4'-P energy: -57.523
bonds (distance) P-C4' energy: -64.406
flat angles C4'-P-C4' energy: -65.134
flat angles P-C4'-P energy: -29.003
tors. eta vs tors. theta energy: -42.998
Dist. restrs. and SS energy: 4.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1256.329525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.329525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.100459 (E_RNA)
where:
Base-Base interactions energy: -877.470
where: short stacking energy: -371.548
Base-Backbone interact. energy: -2.267
local terms energy: -379.363440
where:
bonds (distance) C4'-P energy: -72.281
bonds (distance) P-C4' energy: -63.805
flat angles C4'-P-C4' energy: -79.601
flat angles P-C4'-P energy: -54.814
tors. eta vs tors. theta energy: -108.863
Dist. restrs. and SS energy: 2.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1211.051527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.051527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.999869 (E_RNA)
where:
Base-Base interactions energy: -852.940
where: short stacking energy: -364.695
Base-Backbone interact. energy: -1.694
local terms energy: -360.365864
where:
bonds (distance) C4'-P energy: -68.034
bonds (distance) P-C4' energy: -68.354
flat angles C4'-P-C4' energy: -78.819
flat angles P-C4'-P energy: -46.262
tors. eta vs tors. theta energy: -98.897
Dist. restrs. and SS energy: 3.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1184.670795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.670795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.866306 (E_RNA)
where:
Base-Base interactions energy: -847.575
where: short stacking energy: -344.064
Base-Backbone interact. energy: -2.212
local terms energy: -340.079416
where:
bonds (distance) C4'-P energy: -55.212
bonds (distance) P-C4' energy: -60.833
flat angles C4'-P-C4' energy: -68.094
flat angles P-C4'-P energy: -53.186
tors. eta vs tors. theta energy: -102.755
Dist. restrs. and SS energy: 5.196 (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: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1110.189515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.189515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.803072 (E_RNA)
where:
Base-Base interactions energy: -774.168
where: short stacking energy: -324.728
Base-Backbone interact. energy: -3.217
local terms energy: -335.418348
where:
bonds (distance) C4'-P energy: -69.548
bonds (distance) P-C4' energy: -59.248
flat angles C4'-P-C4' energy: -72.734
flat angles P-C4'-P energy: -40.061
tors. eta vs tors. theta energy: -93.827
Dist. restrs. and SS energy: 2.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1106.195097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.195097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.438921 (E_RNA)
where:
Base-Base interactions energy: -784.361
where: short stacking energy: -313.447
Base-Backbone interact. energy: 1.553
local terms energy: -324.631784
where:
bonds (distance) C4'-P energy: -67.406
bonds (distance) P-C4' energy: -59.377
flat angles C4'-P-C4' energy: -64.986
flat angles P-C4'-P energy: -41.703
tors. eta vs tors. theta energy: -91.159
Dist. restrs. and SS energy: 1.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1015.018538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.018538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.274994 (E_RNA)
where:
Base-Base interactions energy: -704.258
where: short stacking energy: -272.480
Base-Backbone interact. energy: -1.603
local terms energy: -310.413493
where:
bonds (distance) C4'-P energy: -66.446
bonds (distance) P-C4' energy: -59.895
flat angles C4'-P-C4' energy: -69.963
flat angles P-C4'-P energy: -53.381
tors. eta vs tors. theta energy: -60.728
Dist. restrs. and SS energy: 1.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -992.012963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.012963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.689277 (E_RNA)
where:
Base-Base interactions energy: -696.408
where: short stacking energy: -268.789
Base-Backbone interact. energy: 2.818
local terms energy: -302.099229
where:
bonds (distance) C4'-P energy: -59.998
bonds (distance) P-C4' energy: -56.209
flat angles C4'-P-C4' energy: -75.819
flat angles P-C4'-P energy: -32.621
tors. eta vs tors. theta energy: -77.452
Dist. restrs. and SS energy: 3.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -936.177054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.177054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.825447 (E_RNA)
where:
Base-Base interactions energy: -651.592
where: short stacking energy: -263.155
Base-Backbone interact. energy: -1.870
local terms energy: -285.363357
where:
bonds (distance) C4'-P energy: -57.203
bonds (distance) P-C4' energy: -58.830
flat angles C4'-P-C4' energy: -67.713
flat angles P-C4'-P energy: -33.948
tors. eta vs tors. theta energy: -67.670
Dist. restrs. and SS energy: 2.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -934.315657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.315657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.681258 (E_RNA)
where:
Base-Base interactions energy: -644.627
where: short stacking energy: -241.627
Base-Backbone interact. energy: -1.904
local terms energy: -294.150474
where:
bonds (distance) C4'-P energy: -62.686
bonds (distance) P-C4' energy: -64.864
flat angles C4'-P-C4' energy: -67.129
flat angles P-C4'-P energy: -41.190
tors. eta vs tors. theta energy: -58.281
Dist. restrs. and SS energy: 6.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -869.755725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.755725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.254242 (E_RNA)
where:
Base-Base interactions energy: -609.848
where: short stacking energy: -239.414
Base-Backbone interact. energy: -1.998
local terms energy: -269.408595
where:
bonds (distance) C4'-P energy: -58.693
bonds (distance) P-C4' energy: -60.219
flat angles C4'-P-C4' energy: -56.004
flat angles P-C4'-P energy: -33.632
tors. eta vs tors. theta energy: -60.861
Dist. restrs. and SS energy: 11.499 (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: 8
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1255.262953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.262953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.057776 (E_RNA)
where:
Base-Base interactions energy: -873.844
where: short stacking energy: -371.346
Base-Backbone interact. energy: -3.102
local terms energy: -381.111401
where:
bonds (distance) C4'-P energy: -61.269
bonds (distance) P-C4' energy: -69.081
flat angles C4'-P-C4' energy: -88.765
flat angles P-C4'-P energy: -53.777
tors. eta vs tors. theta energy: -108.220
Dist. restrs. and SS energy: 2.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1206.423995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.423995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.463422 (E_RNA)
where:
Base-Base interactions energy: -833.446
where: short stacking energy: -347.246
Base-Backbone interact. energy: -4.068
local terms energy: -376.949070
where:
bonds (distance) C4'-P energy: -76.334
bonds (distance) P-C4' energy: -74.466
flat angles C4'-P-C4' energy: -74.768
flat angles P-C4'-P energy: -54.704
tors. eta vs tors. theta energy: -96.677
Dist. restrs. and SS energy: 8.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1183.394790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.394790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.490932 (E_RNA)
where:
Base-Base interactions energy: -809.494
where: short stacking energy: -329.894
Base-Backbone interact. energy: -0.904
local terms energy: -377.092412
where:
bonds (distance) C4'-P energy: -71.778
bonds (distance) P-C4' energy: -80.385
flat angles C4'-P-C4' energy: -68.894
flat angles P-C4'-P energy: -53.881
tors. eta vs tors. theta energy: -102.154
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: 4, replica: 7
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1112.556479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.556479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.529383 (E_RNA)
where:
Base-Base interactions energy: -750.433
where: short stacking energy: -327.591
Base-Backbone interact. energy: -4.162
local terms energy: -358.934398
where:
bonds (distance) C4'-P energy: -66.801
bonds (distance) P-C4' energy: -68.162
flat angles C4'-P-C4' energy: -77.706
flat angles P-C4'-P energy: -51.488
tors. eta vs tors. theta energy: -94.777
Dist. restrs. and SS energy: 0.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1058.496931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.496931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.036563 (E_RNA)
where:
Base-Base interactions energy: -745.706
where: short stacking energy: -279.392
Base-Backbone interact. energy: -0.382
local terms energy: -315.948180
where:
bonds (distance) C4'-P energy: -57.308
bonds (distance) P-C4' energy: -68.547
flat angles C4'-P-C4' energy: -72.766
flat angles P-C4'-P energy: -40.841
tors. eta vs tors. theta energy: -76.486
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: 6, replica: 3
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1025.330788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.330788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.326116 (E_RNA)
where:
Base-Base interactions energy: -710.725
where: short stacking energy: -274.885
Base-Backbone interact. energy: -0.911
local terms energy: -318.690988
where:
bonds (distance) C4'-P energy: -60.901
bonds (distance) P-C4' energy: -70.570
flat angles C4'-P-C4' energy: -64.535
flat angles P-C4'-P energy: -49.368
tors. eta vs tors. theta energy: -73.317
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: 7, replica: 1
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -968.826293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.826293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.581263 (E_RNA)
where:
Base-Base interactions energy: -682.686
where: short stacking energy: -267.794
Base-Backbone interact. energy: -2.492
local terms energy: -286.403119
where:
bonds (distance) C4'-P energy: -62.892
bonds (distance) P-C4' energy: -57.121
flat angles C4'-P-C4' energy: -58.973
flat angles P-C4'-P energy: -40.493
tors. eta vs tors. theta energy: -66.924
Dist. restrs. and SS energy: 2.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -909.481630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.481630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.051541 (E_RNA)
where:
Base-Base interactions energy: -619.079
where: short stacking energy: -244.449
Base-Backbone interact. energy: 0.694
local terms energy: -291.666855
where:
bonds (distance) C4'-P energy: -66.549
bonds (distance) P-C4' energy: -57.270
flat angles C4'-P-C4' energy: -66.093
flat angles P-C4'-P energy: -41.240
tors. eta vs tors. theta energy: -60.514
Dist. restrs. and SS energy: 0.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -952.514530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.514530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.151894 (E_RNA)
where:
Base-Base interactions energy: -659.986
where: short stacking energy: -265.320
Base-Backbone interact. energy: -2.758
local terms energy: -291.407203
where:
bonds (distance) C4'-P energy: -55.706
bonds (distance) P-C4' energy: -49.729
flat angles C4'-P-C4' energy: -69.692
flat angles P-C4'-P energy: -45.142
tors. eta vs tors. theta energy: -71.138
Dist. restrs. and SS energy: 1.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -876.212803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.212803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.904114 (E_RNA)
where:
Base-Base interactions energy: -627.726
where: short stacking energy: -249.395
Base-Backbone interact. energy: -1.430
local terms energy: -249.747384
where:
bonds (distance) C4'-P energy: -47.646
bonds (distance) P-C4' energy: -54.961
flat angles C4'-P-C4' energy: -60.732
flat angles P-C4'-P energy: -28.764
tors. eta vs tors. theta energy: -57.645
Dist. restrs. and SS energy: 2.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1257.344563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.344563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.371142 (E_RNA)
where:
Base-Base interactions energy: -872.418
where: short stacking energy: -370.181
Base-Backbone interact. energy: 0.468
local terms energy: -388.421434
where:
bonds (distance) C4'-P energy: -78.792
bonds (distance) P-C4' energy: -70.567
flat angles C4'-P-C4' energy: -78.637
flat angles P-C4'-P energy: -53.614
tors. eta vs tors. theta energy: -106.811
Dist. restrs. and SS energy: 3.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1218.305717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.305717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.912675 (E_RNA)
where:
Base-Base interactions energy: -837.597
where: short stacking energy: -360.615
Base-Backbone interact. energy: 0.584
local terms energy: -390.899806
where:
bonds (distance) C4'-P energy: -72.229
bonds (distance) P-C4' energy: -77.979
flat angles C4'-P-C4' energy: -81.096
flat angles P-C4'-P energy: -57.920
tors. eta vs tors. theta energy: -101.676
Dist. restrs. and SS energy: 9.607 (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: 10
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1166.650093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.650093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.323371 (E_RNA)
where:
Base-Base interactions energy: -799.190
where: short stacking energy: -329.469
Base-Backbone interact. energy: -1.385
local terms energy: -369.748962
where:
bonds (distance) C4'-P energy: -75.001
bonds (distance) P-C4' energy: -70.323
flat angles C4'-P-C4' energy: -80.398
flat angles P-C4'-P energy: -46.463
tors. eta vs tors. theta energy: -97.564
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: 4, replica: 7
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1158.047224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.047224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.545781 (E_RNA)
where:
Base-Base interactions energy: -797.150
where: short stacking energy: -326.488
Base-Backbone interact. energy: -0.431
local terms energy: -361.964905
where:
bonds (distance) C4'-P energy: -59.446
bonds (distance) P-C4' energy: -76.214
flat angles C4'-P-C4' energy: -75.033
flat angles P-C4'-P energy: -54.405
tors. eta vs tors. theta energy: -96.868
Dist. restrs. and SS energy: 1.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1072.576398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.576398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.361376 (E_RNA)
where:
Base-Base interactions energy: -731.829
where: short stacking energy: -307.587
Base-Backbone interact. energy: -4.244
local terms energy: -340.287747
where:
bonds (distance) C4'-P energy: -63.833
bonds (distance) P-C4' energy: -66.801
flat angles C4'-P-C4' energy: -70.183
flat angles P-C4'-P energy: -54.443
tors. eta vs tors. theta energy: -85.029
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: 6, replica: 3
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1015.957630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.957630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.510512 (E_RNA)
where:
Base-Base interactions energy: -715.535
where: short stacking energy: -281.684
Base-Backbone interact. energy: 0.257
local terms energy: -305.232004
where:
bonds (distance) C4'-P energy: -67.066
bonds (distance) P-C4' energy: -61.102
flat angles C4'-P-C4' energy: -65.888
flat angles P-C4'-P energy: -45.898
tors. eta vs tors. theta energy: -65.277
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: 7, replica: 1
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -986.866682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.866682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.697392 (E_RNA)
where:
Base-Base interactions energy: -684.984
where: short stacking energy: -276.785
Base-Backbone interact. energy: -1.673
local terms energy: -304.040377
where:
bonds (distance) C4'-P energy: -53.852
bonds (distance) P-C4' energy: -63.998
flat angles C4'-P-C4' energy: -66.913
flat angles P-C4'-P energy: -39.754
tors. eta vs tors. theta energy: -79.524
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: 2
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -914.955771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.955771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.506150 (E_RNA)
where:
Base-Base interactions energy: -640.465
where: short stacking energy: -256.331
Base-Backbone interact. energy: -0.329
local terms energy: -275.711669
where:
bonds (distance) C4'-P energy: -60.049
bonds (distance) P-C4' energy: -53.147
flat angles C4'-P-C4' energy: -60.475
flat angles P-C4'-P energy: -41.254
tors. eta vs tors. theta energy: -60.787
Dist. restrs. and SS energy: 1.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -887.415138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.415138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.022893 (E_RNA)
where:
Base-Base interactions energy: -612.206
where: short stacking energy: -249.483
Base-Backbone interact. energy: -0.998
local terms energy: -277.819074
where:
bonds (distance) C4'-P energy: -55.590
bonds (distance) P-C4' energy: -65.012
flat angles C4'-P-C4' energy: -62.032
flat angles P-C4'-P energy: -31.510
tors. eta vs tors. theta energy: -63.676
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: 10, replica: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -851.471568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.471568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.426292 (E_RNA)
where:
Base-Base interactions energy: -599.234
where: short stacking energy: -220.711
Base-Backbone interact. energy: -2.356
local terms energy: -254.836511
where:
bonds (distance) C4'-P energy: -60.846
bonds (distance) P-C4' energy: -62.446
flat angles C4'-P-C4' energy: -45.693
flat angles P-C4'-P energy: -33.979
tors. eta vs tors. theta energy: -51.872
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: 1, replica: 8
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1231.174934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.174934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.084088 (E_RNA)
where:
Base-Base interactions energy: -849.771
where: short stacking energy: -369.404
Base-Backbone interact. energy: -1.922
local terms energy: -383.391020
where:
bonds (distance) C4'-P energy: -74.124
bonds (distance) P-C4' energy: -80.339
flat angles C4'-P-C4' energy: -71.583
flat angles P-C4'-P energy: -60.292
tors. eta vs tors. theta energy: -97.053
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: 9
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1200.632092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.632092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.782207 (E_RNA)
where:
Base-Base interactions energy: -860.109
where: short stacking energy: -366.688
Base-Backbone interact. energy: -0.766
local terms energy: -347.907194
where:
bonds (distance) C4'-P energy: -55.652
bonds (distance) P-C4' energy: -58.532
flat angles C4'-P-C4' energy: -77.354
flat angles P-C4'-P energy: -56.535
tors. eta vs tors. theta energy: -99.835
Dist. restrs. and SS energy: 8.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1197.280968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.280968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.331014 (E_RNA)
where:
Base-Base interactions energy: -843.288
where: short stacking energy: -329.421
Base-Backbone interact. energy: -2.045
local terms energy: -355.998261
where:
bonds (distance) C4'-P energy: -58.853
bonds (distance) P-C4' energy: -64.482
flat angles C4'-P-C4' energy: -80.107
flat angles P-C4'-P energy: -51.257
tors. eta vs tors. theta energy: -101.299
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: 4, replica: 7
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1135.770228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.770228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.493047 (E_RNA)
where:
Base-Base interactions energy: -793.790
where: short stacking energy: -330.017
Base-Backbone interact. energy: -0.716
local terms energy: -341.986778
where:
bonds (distance) C4'-P energy: -59.023
bonds (distance) P-C4' energy: -63.099
flat angles C4'-P-C4' energy: -76.096
flat angles P-C4'-P energy: -52.258
tors. eta vs tors. theta energy: -91.510
Dist. restrs. and SS energy: 0.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1074.113817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.113817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.351220 (E_RNA)
where:
Base-Base interactions energy: -739.253
where: short stacking energy: -291.324
Base-Backbone interact. energy: -1.715
local terms energy: -336.383573
where:
bonds (distance) C4'-P energy: -58.669
bonds (distance) P-C4' energy: -70.090
flat angles C4'-P-C4' energy: -68.388
flat angles P-C4'-P energy: -60.092
tors. eta vs tors. theta energy: -79.145
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: 6, replica: 3
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1029.513615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.513615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.944603 (E_RNA)
where:
Base-Base interactions energy: -734.474
where: short stacking energy: -282.408
Base-Backbone interact. energy: -1.695
local terms energy: -297.775371
where:
bonds (distance) C4'-P energy: -55.752
bonds (distance) P-C4' energy: -54.008
flat angles C4'-P-C4' energy: -64.401
flat angles P-C4'-P energy: -46.413
tors. eta vs tors. theta energy: -77.202
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: 7, replica: 1
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -972.122853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.122853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.786666 (E_RNA)
where:
Base-Base interactions energy: -677.007
where: short stacking energy: -285.312
Base-Backbone interact. energy: 1.821
local terms energy: -301.600195
where:
bonds (distance) C4'-P energy: -53.034
bonds (distance) P-C4' energy: -60.116
flat angles C4'-P-C4' energy: -65.491
flat angles P-C4'-P energy: -46.630
tors. eta vs tors. theta energy: -76.329
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: 2
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -924.210071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.210071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.099783 (E_RNA)
where:
Base-Base interactions energy: -645.792
where: short stacking energy: -269.090
Base-Backbone interact. energy: -0.601
local terms energy: -279.706646
where:
bonds (distance) C4'-P energy: -59.666
bonds (distance) P-C4' energy: -58.056
flat angles C4'-P-C4' energy: -71.271
flat angles P-C4'-P energy: -33.888
tors. eta vs tors. theta energy: -56.825
Dist. restrs. and SS energy: 1.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -861.770005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.770005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.294990 (E_RNA)
where:
Base-Base interactions energy: -601.312
where: short stacking energy: -223.755
Base-Backbone interact. energy: 1.152
local terms energy: -263.134652
where:
bonds (distance) C4'-P energy: -59.732
bonds (distance) P-C4' energy: -57.288
flat angles C4'-P-C4' energy: -54.199
flat angles P-C4'-P energy: -41.746
tors. eta vs tors. theta energy: -50.169
Dist. restrs. and SS energy: 1.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -896.984601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.984601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.624779 (E_RNA)
where:
Base-Base interactions energy: -661.042
where: short stacking energy: -268.569
Base-Backbone interact. energy: 2.581
local terms energy: -242.164283
where:
bonds (distance) C4'-P energy: -45.919
bonds (distance) P-C4' energy: -40.515
flat angles C4'-P-C4' energy: -50.365
flat angles P-C4'-P energy: -35.196
tors. eta vs tors. theta energy: -70.169
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: 1, replica: 8
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1258.912021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.912021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.570554 (E_RNA)
where:
Base-Base interactions energy: -877.620
where: short stacking energy: -364.718
Base-Backbone interact. energy: 0.127
local terms energy: -385.078175
where:
bonds (distance) C4'-P energy: -76.059
bonds (distance) P-C4' energy: -64.201
flat angles C4'-P-C4' energy: -79.098
flat angles P-C4'-P energy: -59.644
tors. eta vs tors. theta energy: -106.077
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: 9
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1209.052812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.052812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.924749 (E_RNA)
where:
Base-Base interactions energy: -825.857
where: short stacking energy: -359.427
Base-Backbone interact. energy: -1.759
local terms energy: -389.309334
where:
bonds (distance) C4'-P energy: -65.530
bonds (distance) P-C4' energy: -76.941
flat angles C4'-P-C4' energy: -86.785
flat angles P-C4'-P energy: -50.915
tors. eta vs tors. theta energy: -109.138
Dist. restrs. and SS energy: 7.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1154.910079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.910079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.050302 (E_RNA)
where:
Base-Base interactions energy: -807.083
where: short stacking energy: -314.851
Base-Backbone interact. energy: -0.608
local terms energy: -348.359260
where:
bonds (distance) C4'-P energy: -70.709
bonds (distance) P-C4' energy: -60.495
flat angles C4'-P-C4' energy: -70.965
flat angles P-C4'-P energy: -50.302
tors. eta vs tors. theta energy: -95.887
Dist. restrs. and SS energy: 1.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1142.922004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.922004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.020482 (E_RNA)
where:
Base-Base interactions energy: -815.093
where: short stacking energy: -333.404
Base-Backbone interact. energy: -2.045
local terms energy: -329.882228
where:
bonds (distance) C4'-P energy: -64.895
bonds (distance) P-C4' energy: -63.917
flat angles C4'-P-C4' energy: -69.346
flat angles P-C4'-P energy: -37.620
tors. eta vs tors. theta energy: -94.104
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: 5, replica: 5
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1098.248404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.248404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.237139 (E_RNA)
where:
Base-Base interactions energy: -767.639
where: short stacking energy: -330.140
Base-Backbone interact. energy: -1.204
local terms energy: -336.394547
where:
bonds (distance) C4'-P energy: -62.693
bonds (distance) P-C4' energy: -57.638
flat angles C4'-P-C4' energy: -72.757
flat angles P-C4'-P energy: -49.068
tors. eta vs tors. theta energy: -94.239
Dist. restrs. and SS energy: 6.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1030.266320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.266320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.384475 (E_RNA)
where:
Base-Base interactions energy: -716.397
where: short stacking energy: -290.350
Base-Backbone interact. energy: -0.109
local terms energy: -317.878511
where:
bonds (distance) C4'-P energy: -68.996
bonds (distance) P-C4' energy: -57.874
flat angles C4'-P-C4' energy: -70.228
flat angles P-C4'-P energy: -50.069
tors. eta vs tors. theta energy: -70.712
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: 7, replica: 2
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -958.881319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.881319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.272282 (E_RNA)
where:
Base-Base interactions energy: -675.684
where: short stacking energy: -277.029
Base-Backbone interact. energy: -0.633
local terms energy: -284.955265
where:
bonds (distance) C4'-P energy: -54.873
bonds (distance) P-C4' energy: -55.564
flat angles C4'-P-C4' energy: -61.377
flat angles P-C4'-P energy: -46.399
tors. eta vs tors. theta energy: -66.742
Dist. restrs. and SS energy: 2.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -968.576054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.576054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.822145 (E_RNA)
where:
Base-Base interactions energy: -673.610
where: short stacking energy: -274.885
Base-Backbone interact. energy: -1.871
local terms energy: -298.341368
where:
bonds (distance) C4'-P energy: -55.379
bonds (distance) P-C4' energy: -65.267
flat angles C4'-P-C4' energy: -60.499
flat angles P-C4'-P energy: -42.692
tors. eta vs tors. theta energy: -74.503
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: 9, replica: 6
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -936.111858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.111858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.546640 (E_RNA)
where:
Base-Base interactions energy: -661.685
where: short stacking energy: -246.185
Base-Backbone interact. energy: -2.155
local terms energy: -275.705909
where:
bonds (distance) C4'-P energy: -58.900
bonds (distance) P-C4' energy: -60.842
flat angles C4'-P-C4' energy: -48.793
flat angles P-C4'-P energy: -41.886
tors. eta vs tors. theta energy: -65.286
Dist. restrs. and SS energy: 3.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -836.096539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.096539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.562680 (E_RNA)
where:
Base-Base interactions energy: -598.810
where: short stacking energy: -224.327
Base-Backbone interact. energy: -2.262
local terms energy: -240.490131
where:
bonds (distance) C4'-P energy: -58.693
bonds (distance) P-C4' energy: -55.844
flat angles C4'-P-C4' energy: -41.985
flat angles P-C4'-P energy: -37.151
tors. eta vs tors. theta energy: -46.818
Dist. restrs. and SS energy: 5.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1275.662943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.662943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.806998 (E_RNA)
where:
Base-Base interactions energy: -896.269
where: short stacking energy: -358.747
Base-Backbone interact. energy: -0.603
local terms energy: -381.934738
where:
bonds (distance) C4'-P energy: -71.808
bonds (distance) P-C4' energy: -76.779
flat angles C4'-P-C4' energy: -70.870
flat angles P-C4'-P energy: -57.165
tors. eta vs tors. theta energy: -105.313
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: 9
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1230.004190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.004190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.987240 (E_RNA)
where:
Base-Base interactions energy: -869.528
where: short stacking energy: -360.059
Base-Backbone interact. energy: -1.299
local terms energy: -366.159869
where:
bonds (distance) C4'-P energy: -65.209
bonds (distance) P-C4' energy: -62.078
flat angles C4'-P-C4' energy: -80.408
flat angles P-C4'-P energy: -58.970
tors. eta vs tors. theta energy: -99.495
Dist. restrs. and SS energy: 6.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1175.002825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.002825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.309318 (E_RNA)
where:
Base-Base interactions energy: -813.565
where: short stacking energy: -330.757
Base-Backbone interact. energy: -1.698
local terms energy: -362.045394
where:
bonds (distance) C4'-P energy: -70.488
bonds (distance) P-C4' energy: -71.036
flat angles C4'-P-C4' energy: -78.371
flat angles P-C4'-P energy: -42.893
tors. eta vs tors. theta energy: -99.257
Dist. restrs. and SS energy: 2.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1152.118896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.118896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.046440 (E_RNA)
where:
Base-Base interactions energy: -811.321
where: short stacking energy: -306.386
Base-Backbone interact. energy: -2.231
local terms energy: -342.494387
where:
bonds (distance) C4'-P energy: -65.389
bonds (distance) P-C4' energy: -70.126
flat angles C4'-P-C4' energy: -75.569
flat angles P-C4'-P energy: -43.689
tors. eta vs tors. theta energy: -87.722
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: 5, replica: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1098.894773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.894773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.275181 (E_RNA)
where:
Base-Base interactions energy: -793.304
where: short stacking energy: -337.541
Base-Backbone interact. energy: 1.021
local terms energy: -310.992274
where:
bonds (distance) C4'-P energy: -42.699
bonds (distance) P-C4' energy: -57.393
flat angles C4'-P-C4' energy: -72.959
flat angles P-C4'-P energy: -47.202
tors. eta vs tors. theta energy: -90.739
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: 6, replica: 3
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -998.829277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.829277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.627814 (E_RNA)
where:
Base-Base interactions energy: -689.287
where: short stacking energy: -261.777
Base-Backbone interact. energy: -2.340
local terms energy: -314.000964
where:
bonds (distance) C4'-P energy: -64.862
bonds (distance) P-C4' energy: -58.351
flat angles C4'-P-C4' energy: -65.671
flat angles P-C4'-P energy: -47.125
tors. eta vs tors. theta energy: -77.991
Dist. restrs. and SS energy: 6.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -944.982359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.982359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.574170 (E_RNA)
where:
Base-Base interactions energy: -657.739
where: short stacking energy: -268.175
Base-Backbone interact. energy: -0.812
local terms energy: -291.023128
where:
bonds (distance) C4'-P energy: -50.283
bonds (distance) P-C4' energy: -58.984
flat angles C4'-P-C4' energy: -68.269
flat angles P-C4'-P energy: -46.497
tors. eta vs tors. theta energy: -66.990
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: 8, replica: 6
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -930.199243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.199243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.549549 (E_RNA)
where:
Base-Base interactions energy: -647.804
where: short stacking energy: -251.290
Base-Backbone interact. energy: -1.572
local terms energy: -283.173513
where:
bonds (distance) C4'-P energy: -59.965
bonds (distance) P-C4' energy: -70.585
flat angles C4'-P-C4' energy: -61.638
flat angles P-C4'-P energy: -39.099
tors. eta vs tors. theta energy: -51.886
Dist. restrs. and SS energy: 2.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -921.053424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.053424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.537382 (E_RNA)
where:
Base-Base interactions energy: -658.404
where: short stacking energy: -279.886
Base-Backbone interact. energy: 3.175
local terms energy: -271.309033
where:
bonds (distance) C4'-P energy: -49.977
bonds (distance) P-C4' energy: -56.928
flat angles C4'-P-C4' energy: -60.571
flat angles P-C4'-P energy: -39.128
tors. eta vs tors. theta energy: -64.705
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: 10, replica: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -843.285334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.285334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.179538 (E_RNA)
where:
Base-Base interactions energy: -603.895
where: short stacking energy: -239.484
Base-Backbone interact. energy: -0.612
local terms energy: -247.673314
where:
bonds (distance) C4'-P energy: -43.662
bonds (distance) P-C4' energy: -51.481
flat angles C4'-P-C4' energy: -62.568
flat angles P-C4'-P energy: -32.358
tors. eta vs tors. theta energy: -57.605
Dist. restrs. and SS energy: 8.894 (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: 8
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1255.444410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.444410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.239065 (E_RNA)
where:
Base-Base interactions energy: -885.043
where: short stacking energy: -364.941
Base-Backbone interact. energy: -0.195
local terms energy: -374.001642
where:
bonds (distance) C4'-P energy: -61.242
bonds (distance) P-C4' energy: -72.538
flat angles C4'-P-C4' energy: -81.768
flat angles P-C4'-P energy: -51.031
tors. eta vs tors. theta energy: -107.422
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: 2, replica: 9
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1218.705448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.705448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.929543 (E_RNA)
where:
Base-Base interactions energy: -848.442
where: short stacking energy: -345.678
Base-Backbone interact. energy: 1.265
local terms energy: -376.752421
where:
bonds (distance) C4'-P energy: -71.131
bonds (distance) P-C4' energy: -69.723
flat angles C4'-P-C4' energy: -78.068
flat angles P-C4'-P energy: -53.384
tors. eta vs tors. theta energy: -104.446
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: 3, replica: 10
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1166.834805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.834805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.424241 (E_RNA)
where:
Base-Base interactions energy: -808.250
where: short stacking energy: -331.173
Base-Backbone interact. energy: -2.750
local terms energy: -358.423987
where:
bonds (distance) C4'-P energy: -70.496
bonds (distance) P-C4' energy: -65.207
flat angles C4'-P-C4' energy: -73.914
flat angles P-C4'-P energy: -53.505
tors. eta vs tors. theta energy: -95.303
Dist. restrs. and SS energy: 2.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1138.224826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.224826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.193357 (E_RNA)
where:
Base-Base interactions energy: -798.845
where: short stacking energy: -316.793
Base-Backbone interact. energy: -1.951
local terms energy: -342.397975
where:
bonds (distance) C4'-P energy: -65.265
bonds (distance) P-C4' energy: -69.758
flat angles C4'-P-C4' energy: -67.287
flat angles P-C4'-P energy: -48.467
tors. eta vs tors. theta energy: -91.621
Dist. restrs. and SS energy: 4.969 (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: 80
Temperature: 1.100000
Total energy: -1091.938407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.938407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.763677 (E_RNA)
where:
Base-Base interactions energy: -759.947
where: short stacking energy: -305.906
Base-Backbone interact. energy: -0.776
local terms energy: -336.041191
where:
bonds (distance) C4'-P energy: -71.284
bonds (distance) P-C4' energy: -65.939
flat angles C4'-P-C4' energy: -69.143
flat angles P-C4'-P energy: -42.302
tors. eta vs tors. theta energy: -87.373
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: 6, replica: 3
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1021.541450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.541450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.912223 (E_RNA)
where:
Base-Base interactions energy: -709.881
where: short stacking energy: -281.118
Base-Backbone interact. energy: 2.146
local terms energy: -317.177267
where:
bonds (distance) C4'-P energy: -57.563
bonds (distance) P-C4' energy: -65.925
flat angles C4'-P-C4' energy: -78.920
flat angles P-C4'-P energy: -45.319
tors. eta vs tors. theta energy: -69.450
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: 7, replica: 2
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -950.764979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.764979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.316458 (E_RNA)
where:
Base-Base interactions energy: -664.339
where: short stacking energy: -260.083
Base-Backbone interact. energy: -2.142
local terms energy: -288.835828
where:
bonds (distance) C4'-P energy: -54.446
bonds (distance) P-C4' energy: -65.541
flat angles C4'-P-C4' energy: -75.140
flat angles P-C4'-P energy: -41.586
tors. eta vs tors. theta energy: -52.122
Dist. restrs. and SS energy: 4.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -922.616704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.616704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.439728 (E_RNA)
where:
Base-Base interactions energy: -651.597
where: short stacking energy: -253.181
Base-Backbone interact. energy: 0.674
local terms energy: -272.516262
where:
bonds (distance) C4'-P energy: -52.882
bonds (distance) P-C4' energy: -52.200
flat angles C4'-P-C4' energy: -59.529
flat angles P-C4'-P energy: -41.708
tors. eta vs tors. theta energy: -66.197
Dist. restrs. and SS energy: 0.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -924.876382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.876382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.414939 (E_RNA)
where:
Base-Base interactions energy: -662.881
where: short stacking energy: -259.957
Base-Backbone interact. energy: -1.415
local terms energy: -265.119083
where:
bonds (distance) C4'-P energy: -41.820
bonds (distance) P-C4' energy: -48.290
flat angles C4'-P-C4' energy: -64.081
flat angles P-C4'-P energy: -51.657
tors. eta vs tors. theta energy: -59.272
Dist. restrs. and SS energy: 4.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -861.884342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.884342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.225112 (E_RNA)
where:
Base-Base interactions energy: -604.457
where: short stacking energy: -238.642
Base-Backbone interact. energy: 2.586
local terms energy: -263.353385
where:
bonds (distance) C4'-P energy: -61.289
bonds (distance) P-C4' energy: -62.990
flat angles C4'-P-C4' energy: -64.834
flat angles P-C4'-P energy: -22.253
tors. eta vs tors. theta energy: -51.988
Dist. restrs. and SS energy: 3.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1256.534457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.534457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.354620 (E_RNA)
where:
Base-Base interactions energy: -862.058
where: short stacking energy: -360.726
Base-Backbone interact. energy: -1.204
local terms energy: -396.092673
where:
bonds (distance) C4'-P energy: -79.451
bonds (distance) P-C4' energy: -68.924
flat angles C4'-P-C4' energy: -81.469
flat angles P-C4'-P energy: -61.682
tors. eta vs tors. theta energy: -104.566
Dist. restrs. and SS energy: 2.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1230.265253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.265253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.534125 (E_RNA)
where:
Base-Base interactions energy: -848.524
where: short stacking energy: -356.998
Base-Backbone interact. energy: -1.418
local terms energy: -387.592586
where:
bonds (distance) C4'-P energy: -72.587
bonds (distance) P-C4' energy: -71.357
flat angles C4'-P-C4' energy: -79.925
flat angles P-C4'-P energy: -61.709
tors. eta vs tors. theta energy: -102.015
Dist. restrs. and SS energy: 7.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1176.320685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.320685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.044420 (E_RNA)
where:
Base-Base interactions energy: -823.767
where: short stacking energy: -345.031
Base-Backbone interact. energy: -1.757
local terms energy: -355.520347
where:
bonds (distance) C4'-P energy: -64.969
bonds (distance) P-C4' energy: -64.522
flat angles C4'-P-C4' energy: -74.911
flat angles P-C4'-P energy: -47.830
tors. eta vs tors. theta energy: -103.289
Dist. restrs. and SS energy: 4.724 (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: 7
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1113.186349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.186349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.452473 (E_RNA)
where:
Base-Base interactions energy: -771.408
where: short stacking energy: -323.823
Base-Backbone interact. energy: -2.597
local terms energy: -344.447869
where:
bonds (distance) C4'-P energy: -64.567
bonds (distance) P-C4' energy: -70.848
flat angles C4'-P-C4' energy: -71.269
flat angles P-C4'-P energy: -48.777
tors. eta vs tors. theta energy: -88.988
Dist. restrs. and SS energy: 5.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1068.626349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.626349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.807467 (E_RNA)
where:
Base-Base interactions energy: -749.024
where: short stacking energy: -301.054
Base-Backbone interact. energy: -3.756
local terms energy: -321.027686
where:
bonds (distance) C4'-P energy: -51.812
bonds (distance) P-C4' energy: -73.450
flat angles C4'-P-C4' energy: -70.511
flat angles P-C4'-P energy: -37.575
tors. eta vs tors. theta energy: -87.680
Dist. restrs. and SS energy: 5.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1032.333240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.333240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.940254 (E_RNA)
where:
Base-Base interactions energy: -707.398
where: short stacking energy: -270.201
Base-Backbone interact. energy: -2.160
local terms energy: -323.382310
where:
bonds (distance) C4'-P energy: -57.584
bonds (distance) P-C4' energy: -70.528
flat angles C4'-P-C4' energy: -69.325
flat angles P-C4'-P energy: -51.163
tors. eta vs tors. theta energy: -74.781
Dist. restrs. and SS energy: 0.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -959.025084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.025084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.992060 (E_RNA)
where:
Base-Base interactions energy: -662.256
where: short stacking energy: -268.812
Base-Backbone interact. energy: 3.715
local terms energy: -301.451046
where:
bonds (distance) C4'-P energy: -57.721
bonds (distance) P-C4' energy: -66.522
flat angles C4'-P-C4' energy: -70.522
flat angles P-C4'-P energy: -45.819
tors. eta vs tors. theta energy: -60.867
Dist. restrs. and SS energy: 0.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -904.480077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.480077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.713730 (E_RNA)
where:
Base-Base interactions energy: -624.986
where: short stacking energy: -243.478
Base-Backbone interact. energy: -2.204
local terms energy: -281.523664
where:
bonds (distance) C4'-P energy: -39.729
bonds (distance) P-C4' energy: -64.431
flat angles C4'-P-C4' energy: -71.912
flat angles P-C4'-P energy: -39.335
tors. eta vs tors. theta energy: -66.116
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: 9, replica: 1
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -914.231576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.231576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.444483 (E_RNA)
where:
Base-Base interactions energy: -644.624
where: short stacking energy: -247.071
Base-Backbone interact. energy: -3.409
local terms energy: -270.411796
where:
bonds (distance) C4'-P energy: -54.344
bonds (distance) P-C4' energy: -48.187
flat angles C4'-P-C4' energy: -60.487
flat angles P-C4'-P energy: -43.946
tors. eta vs tors. theta energy: -63.448
Dist. restrs. and SS energy: 4.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -865.968470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.968470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.963511 (E_RNA)
where:
Base-Base interactions energy: -612.752
where: short stacking energy: -240.938
Base-Backbone interact. energy: -0.115
local terms energy: -263.096466
where:
bonds (distance) C4'-P energy: -59.964
bonds (distance) P-C4' energy: -53.307
flat angles C4'-P-C4' energy: -59.124
flat angles P-C4'-P energy: -28.870
tors. eta vs tors. theta energy: -61.831
Dist. restrs. and SS energy: 9.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1264.092473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.092473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.441212 (E_RNA)
where:
Base-Base interactions energy: -886.366
where: short stacking energy: -368.646
Base-Backbone interact. energy: -2.090
local terms energy: -378.985104
where:
bonds (distance) C4'-P energy: -69.767
bonds (distance) P-C4' energy: -66.639
flat angles C4'-P-C4' energy: -84.425
flat angles P-C4'-P energy: -53.496
tors. eta vs tors. theta energy: -104.658
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: 2, replica: 9
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1216.969945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.969945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.709398 (E_RNA)
where:
Base-Base interactions energy: -857.284
where: short stacking energy: -349.293
Base-Backbone interact. energy: -1.071
local terms energy: -364.354603
where:
bonds (distance) C4'-P energy: -70.596
bonds (distance) P-C4' energy: -75.473
flat angles C4'-P-C4' energy: -70.534
flat angles P-C4'-P energy: -48.566
tors. eta vs tors. theta energy: -99.187
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: 3, replica: 10
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1215.597073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.597073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.635640 (E_RNA)
where:
Base-Base interactions energy: -847.354
where: short stacking energy: -334.389
Base-Backbone interact. energy: 0.448
local terms energy: -371.729563
where:
bonds (distance) C4'-P energy: -74.238
bonds (distance) P-C4' energy: -70.770
flat angles C4'-P-C4' energy: -79.718
flat angles P-C4'-P energy: -44.780
tors. eta vs tors. theta energy: -102.224
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: 4, replica: 7
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1116.334090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.334090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.411734 (E_RNA)
where:
Base-Base interactions energy: -772.281
where: short stacking energy: -325.348
Base-Backbone interact. energy: -1.393
local terms energy: -346.737702
where:
bonds (distance) C4'-P energy: -63.346
bonds (distance) P-C4' energy: -63.317
flat angles C4'-P-C4' energy: -77.270
flat angles P-C4'-P energy: -48.263
tors. eta vs tors. theta energy: -94.543
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: 5
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1111.213368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.213368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.484322 (E_RNA)
where:
Base-Base interactions energy: -767.277
where: short stacking energy: -305.302
Base-Backbone interact. energy: -2.422
local terms energy: -344.784902
where:
bonds (distance) C4'-P energy: -55.834
bonds (distance) P-C4' energy: -73.063
flat angles C4'-P-C4' energy: -77.940
flat angles P-C4'-P energy: -46.781
tors. eta vs tors. theta energy: -91.167
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: 6, replica: 3
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -989.319832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.319832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.453336 (E_RNA)
where:
Base-Base interactions energy: -699.214
where: short stacking energy: -274.952
Base-Backbone interact. energy: 3.661
local terms energy: -294.900138
where:
bonds (distance) C4'-P energy: -60.107
bonds (distance) P-C4' energy: -62.635
flat angles C4'-P-C4' energy: -64.702
flat angles P-C4'-P energy: -39.737
tors. eta vs tors. theta energy: -67.718
Dist. restrs. and SS energy: 1.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -949.050567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.050567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.150036 (E_RNA)
where:
Base-Base interactions energy: -657.205
where: short stacking energy: -266.075
Base-Backbone interact. energy: -1.504
local terms energy: -293.440600
where:
bonds (distance) C4'-P energy: -56.329
bonds (distance) P-C4' energy: -71.511
flat angles C4'-P-C4' energy: -65.055
flat angles P-C4'-P energy: -30.946
tors. eta vs tors. theta energy: -69.599
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: 8, replica: 2
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -946.214518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.214518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.970960 (E_RNA)
where:
Base-Base interactions energy: -675.230
where: short stacking energy: -270.727
Base-Backbone interact. energy: 0.955
local terms energy: -272.695123
where:
bonds (distance) C4'-P energy: -52.270
bonds (distance) P-C4' energy: -51.373
flat angles C4'-P-C4' energy: -46.476
flat angles P-C4'-P energy: -56.255
tors. eta vs tors. theta energy: -66.321
Dist. restrs. and SS energy: 0.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -974.953728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.953728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.179710 (E_RNA)
where:
Base-Base interactions energy: -681.297
where: short stacking energy: -276.211
Base-Backbone interact. energy: -1.411
local terms energy: -302.471761
where:
bonds (distance) C4'-P energy: -54.581
bonds (distance) P-C4' energy: -69.404
flat angles C4'-P-C4' energy: -65.151
flat angles P-C4'-P energy: -40.949
tors. eta vs tors. theta energy: -72.387
Dist. restrs. and SS energy: 10.226 (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: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -851.392128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.392128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.882671 (E_RNA)
where:
Base-Base interactions energy: -613.254
where: short stacking energy: -224.307
Base-Backbone interact. energy: -1.088
local terms energy: -249.540619
where:
bonds (distance) C4'-P energy: -49.938
bonds (distance) P-C4' energy: -56.888
flat angles C4'-P-C4' energy: -52.149
flat angles P-C4'-P energy: -33.606
tors. eta vs tors. theta energy: -56.960
Dist. restrs. and SS energy: 12.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1266.663947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.663947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.525192 (E_RNA)
where:
Base-Base interactions energy: -886.397
where: short stacking energy: -375.100
Base-Backbone interact. energy: 0.864
local terms energy: -383.991649
where:
bonds (distance) C4'-P energy: -66.163
bonds (distance) P-C4' energy: -70.193
flat angles C4'-P-C4' energy: -76.694
flat angles P-C4'-P energy: -57.447
tors. eta vs tors. theta energy: -113.494
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: 2, replica: 9
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1233.811850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.811850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.414214 (E_RNA)
where:
Base-Base interactions energy: -851.562
where: short stacking energy: -371.893
Base-Backbone interact. energy: -2.723
local terms energy: -385.129544
where:
bonds (distance) C4'-P energy: -68.708
bonds (distance) P-C4' energy: -77.037
flat angles C4'-P-C4' energy: -80.128
flat angles P-C4'-P energy: -49.474
tors. eta vs tors. theta energy: -109.782
Dist. restrs. and SS energy: 5.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1197.115720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.115720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.027940 (E_RNA)
where:
Base-Base interactions energy: -844.003
where: short stacking energy: -351.270
Base-Backbone interact. energy: 1.106
local terms energy: -359.130909
where:
bonds (distance) C4'-P energy: -73.788
bonds (distance) P-C4' energy: -49.386
flat angles C4'-P-C4' energy: -77.615
flat angles P-C4'-P energy: -56.502
tors. eta vs tors. theta energy: -101.840
Dist. restrs. and SS energy: 4.912 (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: 7
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1118.850131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.850131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.436179 (E_RNA)
where:
Base-Base interactions energy: -786.316
where: short stacking energy: -342.949
Base-Backbone interact. energy: 2.822
local terms energy: -338.941888
where:
bonds (distance) C4'-P energy: -56.209
bonds (distance) P-C4' energy: -69.889
flat angles C4'-P-C4' energy: -73.309
flat angles P-C4'-P energy: -46.138
tors. eta vs tors. theta energy: -93.396
Dist. restrs. and SS energy: 3.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1080.859440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.859440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.450817 (E_RNA)
where:
Base-Base interactions energy: -769.798
where: short stacking energy: -310.294
Base-Backbone interact. energy: 1.283
local terms energy: -316.935463
where:
bonds (distance) C4'-P energy: -55.092
bonds (distance) P-C4' energy: -62.976
flat angles C4'-P-C4' energy: -75.371
flat angles P-C4'-P energy: -47.861
tors. eta vs tors. theta energy: -75.636
Dist. restrs. and SS energy: 4.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -997.509292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.509292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.010242 (E_RNA)
where:
Base-Base interactions energy: -680.963
where: short stacking energy: -289.088
Base-Backbone interact. energy: -0.651
local terms energy: -317.396184
where:
bonds (distance) C4'-P energy: -71.152
bonds (distance) P-C4' energy: -58.387
flat angles C4'-P-C4' energy: -66.283
flat angles P-C4'-P energy: -50.371
tors. eta vs tors. theta energy: -71.202
Dist. restrs. and SS energy: 1.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -940.189298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.189298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.372323 (E_RNA)
where:
Base-Base interactions energy: -654.366
where: short stacking energy: -257.583
Base-Backbone interact. energy: 0.400
local terms energy: -289.406315
where:
bonds (distance) C4'-P energy: -62.575
bonds (distance) P-C4' energy: -57.844
flat angles C4'-P-C4' energy: -62.143
flat angles P-C4'-P energy: -52.287
tors. eta vs tors. theta energy: -54.556
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: 8, replica: 2
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -945.924755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.924755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.029122 (E_RNA)
where:
Base-Base interactions energy: -649.083
where: short stacking energy: -261.642
Base-Backbone interact. energy: -1.702
local terms energy: -298.244493
where:
bonds (distance) C4'-P energy: -64.585
bonds (distance) P-C4' energy: -55.851
flat angles C4'-P-C4' energy: -72.123
flat angles P-C4'-P energy: -38.892
tors. eta vs tors. theta energy: -66.793
Dist. restrs. and SS energy: 3.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -931.125948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.125948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.216001 (E_RNA)
where:
Base-Base interactions energy: -665.820
where: short stacking energy: -261.887
Base-Backbone interact. energy: -0.607
local terms energy: -265.789110
where:
bonds (distance) C4'-P energy: -47.439
bonds (distance) P-C4' energy: -51.714
flat angles C4'-P-C4' energy: -65.290
flat angles P-C4'-P energy: -38.038
tors. eta vs tors. theta energy: -63.308
Dist. restrs. and SS energy: 1.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -861.993913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.993913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.079085 (E_RNA)
where:
Base-Base interactions energy: -612.306
where: short stacking energy: -226.334
Base-Backbone interact. energy: -0.351
local terms energy: -253.421538
where:
bonds (distance) C4'-P energy: -41.336
bonds (distance) P-C4' energy: -57.104
flat angles C4'-P-C4' energy: -57.999
flat angles P-C4'-P energy: -36.042
tors. eta vs tors. theta energy: -60.940
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: 1, replica: 8
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1261.982183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.982183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.844416 (E_RNA)
where:
Base-Base interactions energy: -873.899
where: short stacking energy: -358.876
Base-Backbone interact. energy: -1.599
local terms energy: -389.346135
where:
bonds (distance) C4'-P energy: -79.972
bonds (distance) P-C4' energy: -66.206
flat angles C4'-P-C4' energy: -78.308
flat angles P-C4'-P energy: -52.595
tors. eta vs tors. theta energy: -112.266
Dist. restrs. and SS energy: 2.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1228.831287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.831287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.197755 (E_RNA)
where:
Base-Base interactions energy: -847.776
where: short stacking energy: -365.493
Base-Backbone interact. energy: -1.185
local terms energy: -385.236570
where:
bonds (distance) C4'-P energy: -72.427
bonds (distance) P-C4' energy: -77.020
flat angles C4'-P-C4' energy: -68.482
flat angles P-C4'-P energy: -56.946
tors. eta vs tors. theta energy: -110.361
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: 10
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1152.268409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.268409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.684232 (E_RNA)
where:
Base-Base interactions energy: -812.952
where: short stacking energy: -334.902
Base-Backbone interact. energy: -3.891
local terms energy: -338.840595
where:
bonds (distance) C4'-P energy: -60.407
bonds (distance) P-C4' energy: -60.576
flat angles C4'-P-C4' energy: -77.118
flat angles P-C4'-P energy: -46.471
tors. eta vs tors. theta energy: -94.269
Dist. restrs. and SS energy: 3.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1118.336370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.336370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.695542 (E_RNA)
where:
Base-Base interactions energy: -780.096
where: short stacking energy: -314.472
Base-Backbone interact. energy: -3.482
local terms energy: -338.117693
where:
bonds (distance) C4'-P energy: -65.024
bonds (distance) P-C4' energy: -56.057
flat angles C4'-P-C4' energy: -82.060
flat angles P-C4'-P energy: -43.102
tors. eta vs tors. theta energy: -91.875
Dist. restrs. and SS energy: 3.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1082.697550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.697550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.864803 (E_RNA)
where:
Base-Base interactions energy: -769.449
where: short stacking energy: -309.713
Base-Backbone interact. energy: -0.729
local terms energy: -317.686611
where:
bonds (distance) C4'-P energy: -56.095
bonds (distance) P-C4' energy: -54.373
flat angles C4'-P-C4' energy: -71.468
flat angles P-C4'-P energy: -40.263
tors. eta vs tors. theta energy: -95.487
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: 6, replica: 3
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -996.124698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.124698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.303862 (E_RNA)
where:
Base-Base interactions energy: -690.776
where: short stacking energy: -265.672
Base-Backbone interact. energy: -3.342
local terms energy: -304.185870
where:
bonds (distance) C4'-P energy: -60.086
bonds (distance) P-C4' energy: -62.371
flat angles C4'-P-C4' energy: -65.236
flat angles P-C4'-P energy: -45.975
tors. eta vs tors. theta energy: -70.518
Dist. restrs. and SS energy: 2.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -941.888053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.888053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.940658 (E_RNA)
where:
Base-Base interactions energy: -658.772
where: short stacking energy: -253.994
Base-Backbone interact. energy: -2.626
local terms energy: -281.542921
where:
bonds (distance) C4'-P energy: -58.292
bonds (distance) P-C4' energy: -56.581
flat angles C4'-P-C4' energy: -62.443
flat angles P-C4'-P energy: -47.476
tors. eta vs tors. theta energy: -56.751
Dist. restrs. and SS energy: 1.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -929.446719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.446719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.942690 (E_RNA)
where:
Base-Base interactions energy: -652.632
where: short stacking energy: -246.243
Base-Backbone interact. energy: 0.751
local terms energy: -280.062102
where:
bonds (distance) C4'-P energy: -66.397
bonds (distance) P-C4' energy: -49.379
flat angles C4'-P-C4' energy: -64.433
flat angles P-C4'-P energy: -46.041
tors. eta vs tors. theta energy: -53.812
Dist. restrs. and SS energy: 2.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -877.789825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.789825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.626627 (E_RNA)
where:
Base-Base interactions energy: -633.554
where: short stacking energy: -238.055
Base-Backbone interact. energy: -1.297
local terms energy: -251.775272
where:
bonds (distance) C4'-P energy: -40.582
bonds (distance) P-C4' energy: -62.511
flat angles C4'-P-C4' energy: -62.534
flat angles P-C4'-P energy: -42.934
tors. eta vs tors. theta energy: -43.216
Dist. restrs. and SS energy: 8.837 (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: 84
Temperature: 1.350000
Total energy: -881.576744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.576744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.205690 (E_RNA)
where:
Base-Base interactions energy: -594.921
where: short stacking energy: -251.037
Base-Backbone interact. energy: 0.937
local terms energy: -295.221595
where:
bonds (distance) C4'-P energy: -52.220
bonds (distance) P-C4' energy: -56.468
flat angles C4'-P-C4' energy: -68.893
flat angles P-C4'-P energy: -45.786
tors. eta vs tors. theta energy: -71.855
Dist. restrs. and SS energy: 7.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1254.424808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.424808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.352393 (E_RNA)
where:
Base-Base interactions energy: -861.690
where: short stacking energy: -360.894
Base-Backbone interact. energy: -2.240
local terms energy: -393.422204
where:
bonds (distance) C4'-P energy: -66.506
bonds (distance) P-C4' energy: -75.292
flat angles C4'-P-C4' energy: -85.017
flat angles P-C4'-P energy: -56.752
tors. eta vs tors. theta energy: -109.856
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: 2, replica: 9
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1204.027022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.027022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.757988 (E_RNA)
where:
Base-Base interactions energy: -840.756
where: short stacking energy: -351.811
Base-Backbone interact. energy: 2.135
local terms energy: -371.137533
where:
bonds (distance) C4'-P energy: -66.651
bonds (distance) P-C4' energy: -70.851
flat angles C4'-P-C4' energy: -74.329
flat angles P-C4'-P energy: -53.267
tors. eta vs tors. theta energy: -106.039
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: 3, replica: 10
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1190.956732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.956732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.277945 (E_RNA)
where:
Base-Base interactions energy: -839.823
where: short stacking energy: -352.797
Base-Backbone interact. energy: 1.902
local terms energy: -357.356735
where:
bonds (distance) C4'-P energy: -68.582
bonds (distance) P-C4' energy: -63.796
flat angles C4'-P-C4' energy: -77.577
flat angles P-C4'-P energy: -44.048
tors. eta vs tors. theta energy: -103.353
Dist. restrs. and SS energy: 4.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1117.823677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.823677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.492732 (E_RNA)
where:
Base-Base interactions energy: -782.885
where: short stacking energy: -323.692
Base-Backbone interact. energy: 1.780
local terms energy: -340.387424
where:
bonds (distance) C4'-P energy: -67.693
bonds (distance) P-C4' energy: -62.827
flat angles C4'-P-C4' energy: -73.077
flat angles P-C4'-P energy: -50.447
tors. eta vs tors. theta energy: -86.343
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: 5, replica: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1118.112402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.112402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.581868 (E_RNA)
where:
Base-Base interactions energy: -791.189
where: short stacking energy: -319.440
Base-Backbone interact. energy: -2.493
local terms energy: -328.900024
where:
bonds (distance) C4'-P energy: -56.407
bonds (distance) P-C4' energy: -53.310
flat angles C4'-P-C4' energy: -71.153
flat angles P-C4'-P energy: -56.107
tors. eta vs tors. theta energy: -91.923
Dist. restrs. and SS energy: 4.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -993.615674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.615674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.247246 (E_RNA)
where:
Base-Base interactions energy: -704.944
where: short stacking energy: -281.368
Base-Backbone interact. energy: 1.101
local terms energy: -291.404164
where:
bonds (distance) C4'-P energy: -65.212
bonds (distance) P-C4' energy: -54.673
flat angles C4'-P-C4' energy: -63.977
flat angles P-C4'-P energy: -44.938
tors. eta vs tors. theta energy: -62.604
Dist. restrs. and SS energy: 1.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -955.785985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.785985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.413757 (E_RNA)
where:
Base-Base interactions energy: -662.675
where: short stacking energy: -268.782
Base-Backbone interact. energy: -3.205
local terms energy: -292.533219
where:
bonds (distance) C4'-P energy: -56.830
bonds (distance) P-C4' energy: -59.331
flat angles C4'-P-C4' energy: -59.894
flat angles P-C4'-P energy: -44.689
tors. eta vs tors. theta energy: -71.789
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: 8, replica: 1
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -942.895037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.895037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.180842 (E_RNA)
where:
Base-Base interactions energy: -661.002
where: short stacking energy: -253.587
Base-Backbone interact. energy: 1.516
local terms energy: -290.694713
where:
bonds (distance) C4'-P energy: -56.317
bonds (distance) P-C4' energy: -57.349
flat angles C4'-P-C4' energy: -69.647
flat angles P-C4'-P energy: -43.923
tors. eta vs tors. theta energy: -63.458
Dist. restrs. and SS energy: 7.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -923.334032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.334032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.268240 (E_RNA)
where:
Base-Base interactions energy: -645.686
where: short stacking energy: -259.016
Base-Backbone interact. energy: -0.866
local terms energy: -279.716776
where:
bonds (distance) C4'-P energy: -42.796
bonds (distance) P-C4' energy: -75.847
flat angles C4'-P-C4' energy: -62.330
flat angles P-C4'-P energy: -33.402
tors. eta vs tors. theta energy: -65.341
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: 10, replica: 4
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -862.648996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.648996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.890582 (E_RNA)
where:
Base-Base interactions energy: -619.420
where: short stacking energy: -240.209
Base-Backbone interact. energy: 1.325
local terms energy: -252.795857
where:
bonds (distance) C4'-P energy: -46.928
bonds (distance) P-C4' energy: -54.031
flat angles C4'-P-C4' energy: -75.882
flat angles P-C4'-P energy: -24.607
tors. eta vs tors. theta energy: -51.348
Dist. restrs. and SS energy: 8.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1270.081164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.081164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.873970 (E_RNA)
where:
Base-Base interactions energy: -903.050
where: short stacking energy: -391.962
Base-Backbone interact. energy: -1.684
local terms energy: -369.139588
where:
bonds (distance) C4'-P energy: -63.268
bonds (distance) P-C4' energy: -61.865
flat angles C4'-P-C4' energy: -81.026
flat angles P-C4'-P energy: -50.152
tors. eta vs tors. theta energy: -112.829
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: 2, replica: 9
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1225.863625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.863625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.811908 (E_RNA)
where:
Base-Base interactions energy: -857.758
where: short stacking energy: -359.779
Base-Backbone interact. energy: -2.283
local terms energy: -370.770189
where:
bonds (distance) C4'-P energy: -73.076
bonds (distance) P-C4' energy: -66.905
flat angles C4'-P-C4' energy: -72.717
flat angles P-C4'-P energy: -56.989
tors. eta vs tors. theta energy: -101.083
Dist. restrs. and SS energy: 4.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1160.009659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.009659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.891126 (E_RNA)
where:
Base-Base interactions energy: -808.911
where: short stacking energy: -339.619
Base-Backbone interact. energy: -1.916
local terms energy: -353.063699
where:
bonds (distance) C4'-P energy: -62.718
bonds (distance) P-C4' energy: -64.242
flat angles C4'-P-C4' energy: -83.602
flat angles P-C4'-P energy: -46.137
tors. eta vs tors. theta energy: -96.364
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: 4, replica: 7
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1116.233682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.233682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.195537 (E_RNA)
where:
Base-Base interactions energy: -782.434
where: short stacking energy: -325.665
Base-Backbone interact. energy: -2.763
local terms energy: -335.998211
where:
bonds (distance) C4'-P energy: -60.559
bonds (distance) P-C4' energy: -65.962
flat angles C4'-P-C4' energy: -76.160
flat angles P-C4'-P energy: -46.434
tors. eta vs tors. theta energy: -86.884
Dist. restrs. and SS energy: 4.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1096.597616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.597616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.752713 (E_RNA)
where:
Base-Base interactions energy: -780.150
where: short stacking energy: -321.474
Base-Backbone interact. energy: -0.687
local terms energy: -317.915496
where:
bonds (distance) C4'-P energy: -55.636
bonds (distance) P-C4' energy: -56.403
flat angles C4'-P-C4' energy: -73.425
flat angles P-C4'-P energy: -41.519
tors. eta vs tors. theta energy: -90.932
Dist. restrs. and SS energy: 2.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -992.353533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.353533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.544002 (E_RNA)
where:
Base-Base interactions energy: -711.417
where: short stacking energy: -280.325
Base-Backbone interact. energy: -2.017
local terms energy: -282.110140
where:
bonds (distance) C4'-P energy: -62.302
bonds (distance) P-C4' energy: -44.786
flat angles C4'-P-C4' energy: -63.328
flat angles P-C4'-P energy: -43.021
tors. eta vs tors. theta energy: -68.672
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: 7, replica: 1
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -937.429717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.429717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.953423 (E_RNA)
where:
Base-Base interactions energy: -667.085
where: short stacking energy: -273.962
Base-Backbone interact. energy: 1.405
local terms energy: -276.273737
where:
bonds (distance) C4'-P energy: -49.251
bonds (distance) P-C4' energy: -72.877
flat angles C4'-P-C4' energy: -64.949
flat angles P-C4'-P energy: -28.521
tors. eta vs tors. theta energy: -60.675
Dist. restrs. and SS energy: 4.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -933.287903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.287903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.595124 (E_RNA)
where:
Base-Base interactions energy: -650.560
where: short stacking energy: -252.157
Base-Backbone interact. energy: 0.547
local terms energy: -284.581851
where:
bonds (distance) C4'-P energy: -54.020
bonds (distance) P-C4' energy: -63.397
flat angles C4'-P-C4' energy: -62.616
flat angles P-C4'-P energy: -46.991
tors. eta vs tors. theta energy: -57.558
Dist. restrs. and SS energy: 1.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -913.190560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.190560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.041180 (E_RNA)
where:
Base-Base interactions energy: -634.878
where: short stacking energy: -256.524
Base-Backbone interact. energy: 1.816
local terms energy: -286.979042
where:
bonds (distance) C4'-P energy: -61.272
bonds (distance) P-C4' energy: -55.828
flat angles C4'-P-C4' energy: -69.780
flat angles P-C4'-P energy: -35.428
tors. eta vs tors. theta energy: -64.671
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: 10, replica: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -909.998557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.998557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.703593 (E_RNA)
where:
Base-Base interactions energy: -644.928
where: short stacking energy: -250.574
Base-Backbone interact. energy: -0.025
local terms energy: -270.750171
where:
bonds (distance) C4'-P energy: -63.189
bonds (distance) P-C4' energy: -59.916
flat angles C4'-P-C4' energy: -57.352
flat angles P-C4'-P energy: -32.222
tors. eta vs tors. theta energy: -58.071
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: 1, replica: 8
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1252.685376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.685376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.253672 (E_RNA)
where:
Base-Base interactions energy: -875.908
where: short stacking energy: -366.062
Base-Backbone interact. energy: -2.563
local terms energy: -376.782620
where:
bonds (distance) C4'-P energy: -75.102
bonds (distance) P-C4' energy: -67.277
flat angles C4'-P-C4' energy: -71.061
flat angles P-C4'-P energy: -57.302
tors. eta vs tors. theta energy: -106.042
Dist. restrs. and SS energy: 2.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1230.611366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.611366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.757629 (E_RNA)
where:
Base-Base interactions energy: -850.563
where: short stacking energy: -355.245
Base-Backbone interact. energy: -2.120
local terms energy: -383.075431
where:
bonds (distance) C4'-P energy: -67.213
bonds (distance) P-C4' energy: -77.773
flat angles C4'-P-C4' energy: -80.952
flat angles P-C4'-P energy: -55.149
tors. eta vs tors. theta energy: -101.988
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: 3, replica: 10
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1155.721875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.721875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.055229 (E_RNA)
where:
Base-Base interactions energy: -797.072
where: short stacking energy: -329.836
Base-Backbone interact. energy: -1.049
local terms energy: -361.935163
where:
bonds (distance) C4'-P energy: -72.385
bonds (distance) P-C4' energy: -72.585
flat angles C4'-P-C4' energy: -72.017
flat angles P-C4'-P energy: -45.030
tors. eta vs tors. theta energy: -99.917
Dist. restrs. and SS energy: 4.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1121.641597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.641597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.289489 (E_RNA)
where:
Base-Base interactions energy: -778.637
where: short stacking energy: -324.082
Base-Backbone interact. energy: -0.916
local terms energy: -347.737158
where:
bonds (distance) C4'-P energy: -62.484
bonds (distance) P-C4' energy: -65.091
flat angles C4'-P-C4' energy: -76.255
flat angles P-C4'-P energy: -54.962
tors. eta vs tors. theta energy: -88.946
Dist. restrs. and SS energy: 5.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1087.180956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.180956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.487210 (E_RNA)
where:
Base-Base interactions energy: -755.134
where: short stacking energy: -310.389
Base-Backbone interact. energy: -0.647
local terms energy: -335.706629
where:
bonds (distance) C4'-P energy: -57.381
bonds (distance) P-C4' energy: -65.196
flat angles C4'-P-C4' energy: -77.564
flat angles P-C4'-P energy: -46.189
tors. eta vs tors. theta energy: -89.378
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: 6, replica: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1007.237207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.237207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.753853 (E_RNA)
where:
Base-Base interactions energy: -711.854
where: short stacking energy: -283.920
Base-Backbone interact. energy: -0.152
local terms energy: -297.748021
where:
bonds (distance) C4'-P energy: -54.413
bonds (distance) P-C4' energy: -63.170
flat angles C4'-P-C4' energy: -58.416
flat angles P-C4'-P energy: -47.865
tors. eta vs tors. theta energy: -73.885
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: 7, replica: 2
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -965.721671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.721671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.361872 (E_RNA)
where:
Base-Base interactions energy: -678.538
where: short stacking energy: -260.389
Base-Backbone interact. energy: -0.005
local terms energy: -289.819438
where:
bonds (distance) C4'-P energy: -61.191
bonds (distance) P-C4' energy: -63.778
flat angles C4'-P-C4' energy: -60.194
flat angles P-C4'-P energy: -40.720
tors. eta vs tors. theta energy: -63.935
Dist. restrs. and SS energy: 2.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -938.435404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.435404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.778985 (E_RNA)
where:
Base-Base interactions energy: -654.167
where: short stacking energy: -260.537
Base-Backbone interact. energy: 1.391
local terms energy: -293.003542
where:
bonds (distance) C4'-P energy: -57.914
bonds (distance) P-C4' energy: -53.928
flat angles C4'-P-C4' energy: -61.393
flat angles P-C4'-P energy: -50.516
tors. eta vs tors. theta energy: -69.253
Dist. restrs. and SS energy: 7.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -928.458252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.458252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.579956 (E_RNA)
where:
Base-Base interactions energy: -642.135
where: short stacking energy: -261.644
Base-Backbone interact. energy: 0.330
local terms energy: -290.774681
where:
bonds (distance) C4'-P energy: -46.870
bonds (distance) P-C4' energy: -71.655
flat angles C4'-P-C4' energy: -70.794
flat angles P-C4'-P energy: -43.481
tors. eta vs tors. theta energy: -57.974
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: 10, replica: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -858.389030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.389030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.404606 (E_RNA)
where:
Base-Base interactions energy: -623.308
where: short stacking energy: -232.924
Base-Backbone interact. energy: -1.670
local terms energy: -238.425754
where:
bonds (distance) C4'-P energy: -52.549
bonds (distance) P-C4' energy: -56.391
flat angles C4'-P-C4' energy: -50.893
flat angles P-C4'-P energy: -24.053
tors. eta vs tors. theta energy: -54.540
Dist. restrs. and SS energy: 5.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1270.939286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.939286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.094723 (E_RNA)
where:
Base-Base interactions energy: -882.676
where: short stacking energy: -384.837
Base-Backbone interact. energy: -2.148
local terms energy: -389.271500
where:
bonds (distance) C4'-P energy: -68.372
bonds (distance) P-C4' energy: -67.299
flat angles C4'-P-C4' energy: -81.943
flat angles P-C4'-P energy: -58.919
tors. eta vs tors. theta energy: -112.738
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: 2, replica: 9
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1240.169066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.169066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.703982 (E_RNA)
where:
Base-Base interactions energy: -858.258
where: short stacking energy: -351.826
Base-Backbone interact. energy: 4.863
local terms energy: -393.308806
where:
bonds (distance) C4'-P energy: -78.655
bonds (distance) P-C4' energy: -79.682
flat angles C4'-P-C4' energy: -79.971
flat angles P-C4'-P energy: -54.208
tors. eta vs tors. theta energy: -100.793
Dist. restrs. and SS energy: 6.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1144.728406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.728406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.413079 (E_RNA)
where:
Base-Base interactions energy: -782.488
where: short stacking energy: -331.472
Base-Backbone interact. energy: -2.816
local terms energy: -364.108711
where:
bonds (distance) C4'-P energy: -65.996
bonds (distance) P-C4' energy: -65.167
flat angles C4'-P-C4' energy: -74.943
flat angles P-C4'-P energy: -52.398
tors. eta vs tors. theta energy: -105.604
Dist. restrs. and SS energy: 4.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1103.661662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.661662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.423076 (E_RNA)
where:
Base-Base interactions energy: -754.929
where: short stacking energy: -301.783
Base-Backbone interact. energy: -1.007
local terms energy: -351.487391
where:
bonds (distance) C4'-P energy: -64.184
bonds (distance) P-C4' energy: -61.629
flat angles C4'-P-C4' energy: -78.833
flat angles P-C4'-P energy: -58.792
tors. eta vs tors. theta energy: -88.049
Dist. restrs. and SS energy: 3.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1092.038091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.038091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.896934 (E_RNA)
where:
Base-Base interactions energy: -768.174
where: short stacking energy: -309.444
Base-Backbone interact. energy: -3.112
local terms energy: -325.611544
where:
bonds (distance) C4'-P energy: -56.300
bonds (distance) P-C4' energy: -58.900
flat angles C4'-P-C4' energy: -74.177
flat angles P-C4'-P energy: -51.618
tors. eta vs tors. theta energy: -84.616
Dist. restrs. and SS energy: 4.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1040.911571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.911571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.500092 (E_RNA)
where:
Base-Base interactions energy: -724.477
where: short stacking energy: -288.155
Base-Backbone interact. energy: -2.002
local terms energy: -317.020606
where:
bonds (distance) C4'-P energy: -52.530
bonds (distance) P-C4' energy: -70.293
flat angles C4'-P-C4' energy: -69.878
flat angles P-C4'-P energy: -46.093
tors. eta vs tors. theta energy: -78.227
Dist. restrs. and SS energy: 2.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -951.912539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.912539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.268938 (E_RNA)
where:
Base-Base interactions energy: -682.510
where: short stacking energy: -250.201
Base-Backbone interact. energy: 1.886
local terms energy: -273.644847
where:
bonds (distance) C4'-P energy: -46.771
bonds (distance) P-C4' energy: -63.640
flat angles C4'-P-C4' energy: -58.820
flat angles P-C4'-P energy: -43.925
tors. eta vs tors. theta energy: -60.488
Dist. restrs. and SS energy: 2.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -901.704894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.704894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.798897 (E_RNA)
where:
Base-Base interactions energy: -629.881
where: short stacking energy: -250.961
Base-Backbone interact. energy: 0.245
local terms energy: -278.163327
where:
bonds (distance) C4'-P energy: -64.622
bonds (distance) P-C4' energy: -55.395
flat angles C4'-P-C4' energy: -67.631
flat angles P-C4'-P energy: -33.023
tors. eta vs tors. theta energy: -57.492
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: 3
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -886.021160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.021160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.613227 (E_RNA)
where:
Base-Base interactions energy: -599.174
where: short stacking energy: -245.284
Base-Backbone interact. energy: -1.293
local terms energy: -291.146787
where:
bonds (distance) C4'-P energy: -64.830
bonds (distance) P-C4' energy: -52.777
flat angles C4'-P-C4' energy: -67.777
flat angles P-C4'-P energy: -42.608
tors. eta vs tors. theta energy: -63.155
Dist. restrs. and SS energy: 5.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -853.839694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.839694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.830912 (E_RNA)
where:
Base-Base interactions energy: -596.566
where: short stacking energy: -235.125
Base-Backbone interact. energy: -1.377
local terms energy: -266.887328
where:
bonds (distance) C4'-P energy: -47.490
bonds (distance) P-C4' energy: -56.190
flat angles C4'-P-C4' energy: -70.302
flat angles P-C4'-P energy: -39.009
tors. eta vs tors. theta energy: -53.896
Dist. restrs. and SS energy: 10.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1272.081286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.081286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.433995 (E_RNA)
where:
Base-Base interactions energy: -886.590
where: short stacking energy: -365.496
Base-Backbone interact. energy: -1.014
local terms energy: -388.830343
where:
bonds (distance) C4'-P energy: -67.799
bonds (distance) P-C4' energy: -71.811
flat angles C4'-P-C4' energy: -79.683
flat angles P-C4'-P energy: -61.161
tors. eta vs tors. theta energy: -108.377
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: 2, replica: 9
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1240.637556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.637556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.963712 (E_RNA)
where:
Base-Base interactions energy: -863.067
where: short stacking energy: -371.546
Base-Backbone interact. energy: -2.386
local terms energy: -380.510892
where:
bonds (distance) C4'-P energy: -73.578
bonds (distance) P-C4' energy: -73.271
flat angles C4'-P-C4' energy: -75.788
flat angles P-C4'-P energy: -52.230
tors. eta vs tors. theta energy: -105.644
Dist. restrs. and SS energy: 5.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1144.294627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.294627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.634823 (E_RNA)
where:
Base-Base interactions energy: -812.712
where: short stacking energy: -325.099
Base-Backbone interact. energy: 0.986
local terms energy: -336.908914
where:
bonds (distance) C4'-P energy: -64.633
bonds (distance) P-C4' energy: -68.749
flat angles C4'-P-C4' energy: -66.625
flat angles P-C4'-P energy: -48.852
tors. eta vs tors. theta energy: -88.050
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: 4, replica: 5
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1110.081840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.081840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.426773 (E_RNA)
where:
Base-Base interactions energy: -764.859
where: short stacking energy: -334.284
Base-Backbone interact. energy: -0.124
local terms energy: -349.444512
where:
bonds (distance) C4'-P energy: -64.272
bonds (distance) P-C4' energy: -66.294
flat angles C4'-P-C4' energy: -77.915
flat angles P-C4'-P energy: -51.640
tors. eta vs tors. theta energy: -89.323
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: 5, replica: 7
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1069.570785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.570785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.943122 (E_RNA)
where:
Base-Base interactions energy: -756.619
where: short stacking energy: -312.792
Base-Backbone interact. energy: -3.184
local terms energy: -315.140130
where:
bonds (distance) C4'-P energy: -61.152
bonds (distance) P-C4' energy: -67.973
flat angles C4'-P-C4' energy: -70.355
flat angles P-C4'-P energy: -38.176
tors. eta vs tors. theta energy: -77.484
Dist. restrs. and SS energy: 5.372 (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: 1
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1036.884886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.884886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.615591 (E_RNA)
where:
Base-Base interactions energy: -728.260
where: short stacking energy: -297.118
Base-Backbone interact. energy: -2.083
local terms energy: -308.272454
where:
bonds (distance) C4'-P energy: -59.491
bonds (distance) P-C4' energy: -56.592
flat angles C4'-P-C4' energy: -71.825
flat angles P-C4'-P energy: -44.735
tors. eta vs tors. theta energy: -75.630
Dist. restrs. and SS energy: 1.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -975.687486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.687486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.765990 (E_RNA)
where:
Base-Base interactions energy: -685.823
where: short stacking energy: -276.935
Base-Backbone interact. energy: 1.247
local terms energy: -297.190866
where:
bonds (distance) C4'-P energy: -63.597
bonds (distance) P-C4' energy: -56.806
flat angles C4'-P-C4' energy: -61.572
flat angles P-C4'-P energy: -41.611
tors. eta vs tors. theta energy: -73.604
Dist. restrs. and SS energy: 6.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -977.500826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.500826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.855500 (E_RNA)
where:
Base-Base interactions energy: -668.203
where: short stacking energy: -263.421
Base-Backbone interact. energy: -1.218
local terms energy: -310.434117
where:
bonds (distance) C4'-P energy: -62.973
bonds (distance) P-C4' energy: -60.855
flat angles C4'-P-C4' energy: -66.717
flat angles P-C4'-P energy: -50.991
tors. eta vs tors. theta energy: -68.898
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: 9, replica: 2
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -883.362566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.362566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.511875 (E_RNA)
where:
Base-Base interactions energy: -612.201
where: short stacking energy: -233.986
Base-Backbone interact. energy: -0.494
local terms energy: -274.817247
where:
bonds (distance) C4'-P energy: -62.070
bonds (distance) P-C4' energy: -60.739
flat angles C4'-P-C4' energy: -56.312
flat angles P-C4'-P energy: -35.638
tors. eta vs tors. theta energy: -60.057
Dist. restrs. and SS energy: 4.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -853.411705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.411705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.784322 (E_RNA)
where:
Base-Base interactions energy: -589.559
where: short stacking energy: -220.747
Base-Backbone interact. energy: -0.477
local terms energy: -271.747461
where:
bonds (distance) C4'-P energy: -58.892
bonds (distance) P-C4' energy: -55.247
flat angles C4'-P-C4' energy: -55.680
flat angles P-C4'-P energy: -43.819
tors. eta vs tors. theta energy: -58.109
Dist. restrs. and SS energy: 8.373 (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: 8
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1272.505744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.505744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.669788 (E_RNA)
where:
Base-Base interactions energy: -888.332
where: short stacking energy: -385.581
Base-Backbone interact. energy: -3.846
local terms energy: -383.491659
where:
bonds (distance) C4'-P energy: -66.041
bonds (distance) P-C4' energy: -74.289
flat angles C4'-P-C4' energy: -79.959
flat angles P-C4'-P energy: -53.947
tors. eta vs tors. theta energy: -109.255
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: 2, replica: 9
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1232.563342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.563342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.245650 (E_RNA)
where:
Base-Base interactions energy: -865.603
where: short stacking energy: -369.281
Base-Backbone interact. energy: -1.913
local terms energy: -370.730003
where:
bonds (distance) C4'-P energy: -65.398
bonds (distance) P-C4' energy: -77.668
flat angles C4'-P-C4' energy: -70.203
flat angles P-C4'-P energy: -52.293
tors. eta vs tors. theta energy: -105.168
Dist. restrs. and SS energy: 5.682 (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: 10
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1185.149939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.149939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.953997 (E_RNA)
where:
Base-Base interactions energy: -831.045
where: short stacking energy: -354.708
Base-Backbone interact. energy: -2.259
local terms energy: -356.650760
where:
bonds (distance) C4'-P energy: -74.789
bonds (distance) P-C4' energy: -67.242
flat angles C4'-P-C4' energy: -67.378
flat angles P-C4'-P energy: -48.695
tors. eta vs tors. theta energy: -98.547
Dist. restrs. and SS energy: 4.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1105.055794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.055794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.826531 (E_RNA)
where:
Base-Base interactions energy: -768.155
where: short stacking energy: -310.658
Base-Backbone interact. energy: -3.006
local terms energy: -338.665060
where:
bonds (distance) C4'-P energy: -61.139
bonds (distance) P-C4' energy: -60.593
flat angles C4'-P-C4' energy: -73.555
flat angles P-C4'-P energy: -52.776
tors. eta vs tors. theta energy: -90.602
Dist. restrs. and SS energy: 4.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1071.714958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.714958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.224296 (E_RNA)
where:
Base-Base interactions energy: -734.005
where: short stacking energy: -297.279
Base-Backbone interact. energy: -1.168
local terms energy: -340.051791
where:
bonds (distance) C4'-P energy: -50.554
bonds (distance) P-C4' energy: -76.922
flat angles C4'-P-C4' energy: -74.302
flat angles P-C4'-P energy: -52.115
tors. eta vs tors. theta energy: -86.159
Dist. restrs. and SS energy: 3.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1016.490879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.490879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.229432 (E_RNA)
where:
Base-Base interactions energy: -708.470
where: short stacking energy: -273.541
Base-Backbone interact. energy: 2.440
local terms energy: -315.199859
where:
bonds (distance) C4'-P energy: -65.095
bonds (distance) P-C4' energy: -59.473
flat angles C4'-P-C4' energy: -74.825
flat angles P-C4'-P energy: -44.281
tors. eta vs tors. theta energy: -71.525
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: 7, replica: 3
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -972.328686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.328686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.443402 (E_RNA)
where:
Base-Base interactions energy: -672.671
where: short stacking energy: -266.425
Base-Backbone interact. energy: -2.269
local terms energy: -298.503642
where:
bonds (distance) C4'-P energy: -50.786
bonds (distance) P-C4' energy: -66.508
flat angles C4'-P-C4' energy: -62.185
flat angles P-C4'-P energy: -53.340
tors. eta vs tors. theta energy: -65.684
Dist. restrs. and SS energy: 1.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -943.281543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.281543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.985947 (E_RNA)
where:
Base-Base interactions energy: -647.354
where: short stacking energy: -248.604
Base-Backbone interact. energy: -1.258
local terms energy: -299.373196
where:
bonds (distance) C4'-P energy: -50.045
bonds (distance) P-C4' energy: -65.333
flat angles C4'-P-C4' energy: -69.292
flat angles P-C4'-P energy: -46.422
tors. eta vs tors. theta energy: -68.282
Dist. restrs. and SS energy: 4.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -897.031398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.031398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.213082 (E_RNA)
where:
Base-Base interactions energy: -635.017
where: short stacking energy: -237.172
Base-Backbone interact. energy: -0.880
local terms energy: -267.316659
where:
bonds (distance) C4'-P energy: -54.369
bonds (distance) P-C4' energy: -43.709
flat angles C4'-P-C4' energy: -65.935
flat angles P-C4'-P energy: -35.908
tors. eta vs tors. theta energy: -67.395
Dist. restrs. and SS energy: 6.182 (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: 2
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -848.457163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.457163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.815315 (E_RNA)
where:
Base-Base interactions energy: -606.517
where: short stacking energy: -237.155
Base-Backbone interact. energy: -1.736
local terms energy: -244.562215
where:
bonds (distance) C4'-P energy: -56.816
bonds (distance) P-C4' energy: -36.419
flat angles C4'-P-C4' energy: -70.133
flat angles P-C4'-P energy: -32.097
tors. eta vs tors. theta energy: -49.098
Dist. restrs. and SS energy: 4.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1270.048916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.048916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.723877 (E_RNA)
where:
Base-Base interactions energy: -882.022
where: short stacking energy: -384.139
Base-Backbone interact. energy: -4.468
local terms energy: -386.233518
where:
bonds (distance) C4'-P energy: -58.696
bonds (distance) P-C4' energy: -78.425
flat angles C4'-P-C4' energy: -82.003
flat angles P-C4'-P energy: -59.526
tors. eta vs tors. theta energy: -107.583
Dist. restrs. and SS energy: 2.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1213.690930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.690930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.220121 (E_RNA)
where:
Base-Base interactions energy: -860.140
where: short stacking energy: -341.328
Base-Backbone interact. energy: -2.001
local terms energy: -357.078492
where:
bonds (distance) C4'-P energy: -68.435
bonds (distance) P-C4' energy: -71.519
flat angles C4'-P-C4' energy: -78.055
flat angles P-C4'-P energy: -43.900
tors. eta vs tors. theta energy: -95.169
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: 3, replica: 10
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1176.021260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.021260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.697974 (E_RNA)
where:
Base-Base interactions energy: -817.649
where: short stacking energy: -333.255
Base-Backbone interact. energy: -1.798
local terms energy: -359.250937
where:
bonds (distance) C4'-P energy: -68.977
bonds (distance) P-C4' energy: -69.850
flat angles C4'-P-C4' energy: -77.933
flat angles P-C4'-P energy: -50.360
tors. eta vs tors. theta energy: -92.131
Dist. restrs. and SS energy: 2.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1150.559862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.559862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.029011 (E_RNA)
where:
Base-Base interactions energy: -822.283
where: short stacking energy: -320.953
Base-Backbone interact. energy: -3.505
local terms energy: -328.240975
where:
bonds (distance) C4'-P energy: -54.481
bonds (distance) P-C4' energy: -67.077
flat angles C4'-P-C4' energy: -66.624
flat angles P-C4'-P energy: -52.929
tors. eta vs tors. theta energy: -87.130
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: 5, replica: 7
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1085.918790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.918790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.045659 (E_RNA)
where:
Base-Base interactions energy: -747.764
where: short stacking energy: -299.295
Base-Backbone interact. energy: -2.136
local terms energy: -342.145623
where:
bonds (distance) C4'-P energy: -74.161
bonds (distance) P-C4' energy: -62.097
flat angles C4'-P-C4' energy: -75.792
flat angles P-C4'-P energy: -46.436
tors. eta vs tors. theta energy: -83.660
Dist. restrs. and SS energy: 6.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1055.474940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.474940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.735557 (E_RNA)
where:
Base-Base interactions energy: -727.067
where: short stacking energy: -305.800
Base-Backbone interact. energy: 0.481
local terms energy: -331.149454
where:
bonds (distance) C4'-P energy: -66.570
bonds (distance) P-C4' energy: -69.711
flat angles C4'-P-C4' energy: -66.584
flat angles P-C4'-P energy: -41.780
tors. eta vs tors. theta energy: -86.505
Dist. restrs. and SS energy: 2.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1023.234474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.234474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.769294 (E_RNA)
where:
Base-Base interactions energy: -714.084
where: short stacking energy: -300.126
Base-Backbone interact. energy: -1.784
local terms energy: -308.901310
where:
bonds (distance) C4'-P energy: -52.053
bonds (distance) P-C4' energy: -67.806
flat angles C4'-P-C4' energy: -58.070
flat angles P-C4'-P energy: -45.665
tors. eta vs tors. theta energy: -85.307
Dist. restrs. and SS energy: 1.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -937.623200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.623200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.013081 (E_RNA)
where:
Base-Base interactions energy: -673.190
where: short stacking energy: -262.885
Base-Backbone interact. energy: -2.370
local terms energy: -266.453575
where:
bonds (distance) C4'-P energy: -60.028
bonds (distance) P-C4' energy: -49.415
flat angles C4'-P-C4' energy: -60.927
flat angles P-C4'-P energy: -38.248
tors. eta vs tors. theta energy: -57.835
Dist. restrs. and SS energy: 4.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -925.188378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.188378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.900883 (E_RNA)
where:
Base-Base interactions energy: -645.038
where: short stacking energy: -252.111
Base-Backbone interact. energy: 0.041
local terms energy: -283.903874
where:
bonds (distance) C4'-P energy: -61.082
bonds (distance) P-C4' energy: -51.483
flat angles C4'-P-C4' energy: -64.884
flat angles P-C4'-P energy: -44.763
tors. eta vs tors. theta energy: -61.692
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: 10, replica: 2
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -854.796758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.796758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.808815 (E_RNA)
where:
Base-Base interactions energy: -602.339
where: short stacking energy: -246.312
Base-Backbone interact. energy: -0.559
local terms energy: -261.910871
where:
bonds (distance) C4'-P energy: -41.158
bonds (distance) P-C4' energy: -65.448
flat angles C4'-P-C4' energy: -58.998
flat angles P-C4'-P energy: -36.879
tors. eta vs tors. theta energy: -59.427
Dist. restrs. and SS energy: 10.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1230.773996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.773996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.891259 (E_RNA)
where:
Base-Base interactions energy: -870.107
where: short stacking energy: -362.995
Base-Backbone interact. energy: -2.552
local terms energy: -364.232303
where:
bonds (distance) C4'-P energy: -65.774
bonds (distance) P-C4' energy: -69.601
flat angles C4'-P-C4' energy: -79.016
flat angles P-C4'-P energy: -44.848
tors. eta vs tors. theta energy: -104.993
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: 2, replica: 8
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1243.556490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.556490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.069465 (E_RNA)
where:
Base-Base interactions energy: -873.810
where: short stacking energy: -359.201
Base-Backbone interact. energy: -2.856
local terms energy: -371.403434
where:
bonds (distance) C4'-P energy: -75.542
bonds (distance) P-C4' energy: -62.853
flat angles C4'-P-C4' energy: -73.034
flat angles P-C4'-P energy: -55.396
tors. eta vs tors. theta energy: -104.578
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: 3, replica: 5
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1166.011121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.011121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.460151 (E_RNA)
where:
Base-Base interactions energy: -814.618
where: short stacking energy: -338.146
Base-Backbone interact. energy: -3.903
local terms energy: -351.939003
where:
bonds (distance) C4'-P energy: -67.546
bonds (distance) P-C4' energy: -70.592
flat angles C4'-P-C4' energy: -78.398
flat angles P-C4'-P energy: -46.283
tors. eta vs tors. theta energy: -89.119
Dist. restrs. and SS energy: 4.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1157.420456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.420456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.035347 (E_RNA)
where:
Base-Base interactions energy: -813.920
where: short stacking energy: -331.181
Base-Backbone interact. energy: -1.733
local terms energy: -346.381866
where:
bonds (distance) C4'-P energy: -46.135
bonds (distance) P-C4' energy: -67.087
flat angles C4'-P-C4' energy: -78.141
flat angles P-C4'-P energy: -56.629
tors. eta vs tors. theta energy: -98.390
Dist. restrs. and SS energy: 4.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1092.176411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.176411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.605110 (E_RNA)
where:
Base-Base interactions energy: -756.053
where: short stacking energy: -297.475
Base-Backbone interact. energy: -2.760
local terms energy: -336.792399
where:
bonds (distance) C4'-P energy: -55.433
bonds (distance) P-C4' energy: -70.422
flat angles C4'-P-C4' energy: -77.045
flat angles P-C4'-P energy: -50.677
tors. eta vs tors. theta energy: -83.214
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: 6, replica: 3
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1016.292010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.292010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.103310 (E_RNA)
where:
Base-Base interactions energy: -701.485
where: short stacking energy: -275.011
Base-Backbone interact. energy: 0.688
local terms energy: -318.306778
where:
bonds (distance) C4'-P energy: -66.376
bonds (distance) P-C4' energy: -60.990
flat angles C4'-P-C4' energy: -78.530
flat angles P-C4'-P energy: -33.461
tors. eta vs tors. theta energy: -78.949
Dist. restrs. and SS energy: 2.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1004.923652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.923652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.342222 (E_RNA)
where:
Base-Base interactions energy: -709.580
where: short stacking energy: -284.447
Base-Backbone interact. energy: -3.161
local terms energy: -293.601138
where:
bonds (distance) C4'-P energy: -56.571
bonds (distance) P-C4' energy: -52.975
flat angles C4'-P-C4' energy: -61.694
flat angles P-C4'-P energy: -44.775
tors. eta vs tors. theta energy: -77.586
Dist. restrs. and SS energy: 1.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -947.591941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.591941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.810261 (E_RNA)
where:
Base-Base interactions energy: -657.036
where: short stacking energy: -267.801
Base-Backbone interact. energy: -0.576
local terms energy: -297.197794
where:
bonds (distance) C4'-P energy: -62.253
bonds (distance) P-C4' energy: -52.807
flat angles C4'-P-C4' energy: -68.401
flat angles P-C4'-P energy: -44.245
tors. eta vs tors. theta energy: -69.492
Dist. restrs. and SS energy: 7.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -922.823792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.823792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.744066 (E_RNA)
where:
Base-Base interactions energy: -670.452
where: short stacking energy: -246.429
Base-Backbone interact. energy: 2.915
local terms energy: -258.207754
where:
bonds (distance) C4'-P energy: -57.948
bonds (distance) P-C4' energy: -52.174
flat angles C4'-P-C4' energy: -56.975
flat angles P-C4'-P energy: -29.659
tors. eta vs tors. theta energy: -61.453
Dist. restrs. and SS energy: 2.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -864.729575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.729575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.548223 (E_RNA)
where:
Base-Base interactions energy: -614.806
where: short stacking energy: -225.579
Base-Backbone interact. energy: -2.351
local terms energy: -250.391305
where:
bonds (distance) C4'-P energy: -53.156
bonds (distance) P-C4' energy: -50.576
flat angles C4'-P-C4' energy: -69.095
flat angles P-C4'-P energy: -29.629
tors. eta vs tors. theta energy: -47.935
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: 1, replica: 9
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1240.804402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.804402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.673653 (E_RNA)
where:
Base-Base interactions energy: -875.243
where: short stacking energy: -364.847
Base-Backbone interact. energy: -1.559
local terms energy: -369.872384
where:
bonds (distance) C4'-P energy: -67.318
bonds (distance) P-C4' energy: -68.794
flat angles C4'-P-C4' energy: -84.856
flat angles P-C4'-P energy: -51.787
tors. eta vs tors. theta energy: -97.117
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: 2, replica: 8
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1226.138233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.138233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.574567 (E_RNA)
where:
Base-Base interactions energy: -841.406
where: short stacking energy: -352.282
Base-Backbone interact. energy: -1.182
local terms energy: -385.986316
where:
bonds (distance) C4'-P energy: -77.470
bonds (distance) P-C4' energy: -63.160
flat angles C4'-P-C4' energy: -77.355
flat angles P-C4'-P energy: -61.247
tors. eta vs tors. theta energy: -106.755
Dist. restrs. and SS energy: 2.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1189.452557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.452557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.266478 (E_RNA)
where:
Base-Base interactions energy: -853.267
where: short stacking energy: -352.764
Base-Backbone interact. energy: -2.106
local terms energy: -337.892820
where:
bonds (distance) C4'-P energy: -50.510
bonds (distance) P-C4' energy: -68.039
flat angles C4'-P-C4' energy: -75.380
flat angles P-C4'-P energy: -47.379
tors. eta vs tors. theta energy: -96.584
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: 4, replica: 10
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1133.227298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.227298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.729312 (E_RNA)
where:
Base-Base interactions energy: -800.166
where: short stacking energy: -327.540
Base-Backbone interact. energy: -2.682
local terms energy: -333.880619
where:
bonds (distance) C4'-P energy: -57.887
bonds (distance) P-C4' energy: -52.514
flat angles C4'-P-C4' energy: -70.173
flat angles P-C4'-P energy: -54.242
tors. eta vs tors. theta energy: -99.064
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: 7
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1059.467903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.467903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.579586 (E_RNA)
where:
Base-Base interactions energy: -745.705
where: short stacking energy: -288.358
Base-Backbone interact. energy: -1.332
local terms energy: -317.541875
where:
bonds (distance) C4'-P energy: -61.608
bonds (distance) P-C4' energy: -63.324
flat angles C4'-P-C4' energy: -77.254
flat angles P-C4'-P energy: -44.641
tors. eta vs tors. theta energy: -70.715
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: 6, replica: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1037.358575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.358575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.286290 (E_RNA)
where:
Base-Base interactions energy: -716.569
where: short stacking energy: -286.079
Base-Backbone interact. energy: -1.118
local terms energy: -320.599207
where:
bonds (distance) C4'-P energy: -59.948
bonds (distance) P-C4' energy: -61.045
flat angles C4'-P-C4' energy: -72.616
flat angles P-C4'-P energy: -45.676
tors. eta vs tors. theta energy: -81.314
Dist. restrs. and SS energy: 0.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -990.417764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.417764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.929777 (E_RNA)
where:
Base-Base interactions energy: -707.767
where: short stacking energy: -269.667
Base-Backbone interact. energy: 1.339
local terms energy: -291.501468
where:
bonds (distance) C4'-P energy: -59.174
bonds (distance) P-C4' energy: -58.686
flat angles C4'-P-C4' energy: -71.990
flat angles P-C4'-P energy: -29.652
tors. eta vs tors. theta energy: -72.001
Dist. restrs. and SS energy: 7.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -924.012322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.012322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.667722 (E_RNA)
where:
Base-Base interactions energy: -643.308
where: short stacking energy: -244.086
Base-Backbone interact. energy: -2.278
local terms energy: -280.081973
where:
bonds (distance) C4'-P energy: -50.496
bonds (distance) P-C4' energy: -62.828
flat angles C4'-P-C4' energy: -69.679
flat angles P-C4'-P energy: -38.145
tors. eta vs tors. theta energy: -58.935
Dist. restrs. and SS energy: 1.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -914.489999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.489999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.701223 (E_RNA)
where:
Base-Base interactions energy: -650.690
where: short stacking energy: -255.601
Base-Backbone interact. energy: 0.667
local terms energy: -270.678500
where:
bonds (distance) C4'-P energy: -54.528
bonds (distance) P-C4' energy: -54.072
flat angles C4'-P-C4' energy: -65.452
flat angles P-C4'-P energy: -29.883
tors. eta vs tors. theta energy: -66.744
Dist. restrs. and SS energy: 6.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -808.823560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.823560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.370301 (E_RNA)
where:
Base-Base interactions energy: -586.225
where: short stacking energy: -207.855
Base-Backbone interact. energy: -1.473
local terms energy: -227.671929
where:
bonds (distance) C4'-P energy: -57.186
bonds (distance) P-C4' energy: -49.831
flat angles C4'-P-C4' energy: -47.022
flat angles P-C4'-P energy: -30.799
tors. eta vs tors. theta energy: -42.835
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: 9
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1270.555357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.555357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.692555 (E_RNA)
where:
Base-Base interactions energy: -881.961
where: short stacking energy: -354.044
Base-Backbone interact. energy: -4.041
local terms energy: -390.691023
where:
bonds (distance) C4'-P energy: -77.464
bonds (distance) P-C4' energy: -68.691
flat angles C4'-P-C4' energy: -82.190
flat angles P-C4'-P energy: -56.441
tors. eta vs tors. theta energy: -105.905
Dist. restrs. and SS energy: 6.137 (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: 8
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1228.456218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.456218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.687466 (E_RNA)
where:
Base-Base interactions energy: -858.298
where: short stacking energy: -361.541
Base-Backbone interact. energy: 0.701
local terms energy: -374.091141
where:
bonds (distance) C4'-P energy: -65.442
bonds (distance) P-C4' energy: -68.984
flat angles C4'-P-C4' energy: -77.892
flat angles P-C4'-P energy: -55.930
tors. eta vs tors. theta energy: -105.842
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: 3, replica: 10
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1165.564723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.564723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.930316 (E_RNA)
where:
Base-Base interactions energy: -834.808
where: short stacking energy: -357.952
Base-Backbone interact. energy: -1.835
local terms energy: -332.287323
where:
bonds (distance) C4'-P energy: -53.362
bonds (distance) P-C4' energy: -54.449
flat angles C4'-P-C4' energy: -69.527
flat angles P-C4'-P energy: -50.906
tors. eta vs tors. theta energy: -104.044
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: 4, replica: 5
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1143.035020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.035020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.173920 (E_RNA)
where:
Base-Base interactions energy: -820.913
where: short stacking energy: -315.496
Base-Backbone interact. energy: 1.684
local terms energy: -329.944523
where:
bonds (distance) C4'-P energy: -62.848
bonds (distance) P-C4' energy: -53.914
flat angles C4'-P-C4' energy: -68.647
flat angles P-C4'-P energy: -58.466
tors. eta vs tors. theta energy: -86.069
Dist. restrs. and SS energy: 6.139 (S_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: 94
Temperature: 1.100000
Total energy: -1075.960409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.960409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.485635 (E_RNA)
where:
Base-Base interactions energy: -767.539
where: short stacking energy: -306.390
Base-Backbone interact. energy: -0.509
local terms energy: -309.437723
where:
bonds (distance) C4'-P energy: -45.428
bonds (distance) P-C4' energy: -56.449
flat angles C4'-P-C4' energy: -81.472
flat angles P-C4'-P energy: -47.599
tors. eta vs tors. theta energy: -78.491
Dist. restrs. and SS energy: 1.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1030.262964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.262964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.070952 (E_RNA)
where:
Base-Base interactions energy: -729.233
where: short stacking energy: -278.351
Base-Backbone interact. energy: -0.063
local terms energy: -306.774472
where:
bonds (distance) C4'-P energy: -65.442
bonds (distance) P-C4' energy: -59.797
flat angles C4'-P-C4' energy: -57.497
flat angles P-C4'-P energy: -55.663
tors. eta vs tors. theta energy: -68.376
Dist. restrs. and SS energy: 5.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -997.169543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.169543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.334190 (E_RNA)
where:
Base-Base interactions energy: -682.696
where: short stacking energy: -266.378
Base-Backbone interact. energy: -1.365
local terms energy: -317.273557
where:
bonds (distance) C4'-P energy: -65.772
bonds (distance) P-C4' energy: -66.942
flat angles C4'-P-C4' energy: -70.678
flat angles P-C4'-P energy: -49.627
tors. eta vs tors. theta energy: -64.255
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: 8, replica: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -924.408070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.408070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.437298 (E_RNA)
where:
Base-Base interactions energy: -642.563
where: short stacking energy: -255.571
Base-Backbone interact. energy: -0.759
local terms energy: -283.115899
where:
bonds (distance) C4'-P energy: -55.317
bonds (distance) P-C4' energy: -65.015
flat angles C4'-P-C4' energy: -68.396
flat angles P-C4'-P energy: -28.996
tors. eta vs tors. theta energy: -65.393
Dist. restrs. and SS energy: 2.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -900.340876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.340876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.804850 (E_RNA)
where:
Base-Base interactions energy: -633.014
where: short stacking energy: -252.254
Base-Backbone interact. energy: -0.958
local terms energy: -269.833161
where:
bonds (distance) C4'-P energy: -55.920
bonds (distance) P-C4' energy: -57.772
flat angles C4'-P-C4' energy: -57.846
flat angles P-C4'-P energy: -35.096
tors. eta vs tors. theta energy: -63.199
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: 10, replica: 2
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -798.631565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.631565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.807165 (E_RNA)
where:
Base-Base interactions energy: -538.403
where: short stacking energy: -197.957
Base-Backbone interact. energy: 0.975
local terms energy: -265.379603
where:
bonds (distance) C4'-P energy: -60.755
bonds (distance) P-C4' energy: -58.465
flat angles C4'-P-C4' energy: -68.960
flat angles P-C4'-P energy: -35.076
tors. eta vs tors. theta energy: -42.123
Dist. restrs. and SS energy: 4.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1259.805748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.805748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.481872 (E_RNA)
where:
Base-Base interactions energy: -891.092
where: short stacking energy: -355.036
Base-Backbone interact. energy: -3.644
local terms energy: -370.744998
where:
bonds (distance) C4'-P energy: -65.450
bonds (distance) P-C4' energy: -68.918
flat angles C4'-P-C4' energy: -79.490
flat angles P-C4'-P energy: -58.601
tors. eta vs tors. theta energy: -98.286
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: 2, replica: 10
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1183.201739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.201739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.019302 (E_RNA)
where:
Base-Base interactions energy: -829.884
where: short stacking energy: -344.886
Base-Backbone interact. energy: 2.168
local terms energy: -358.303349
where:
bonds (distance) C4'-P energy: -55.538
bonds (distance) P-C4' energy: -72.619
flat angles C4'-P-C4' energy: -78.192
flat angles P-C4'-P energy: -54.268
tors. eta vs tors. theta energy: -97.686
Dist. restrs. and SS energy: 2.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1211.200532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.200532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.074895 (E_RNA)
where:
Base-Base interactions energy: -848.009
where: short stacking energy: -356.335
Base-Backbone interact. energy: -1.819
local terms energy: -365.246816
where:
bonds (distance) C4'-P energy: -64.502
bonds (distance) P-C4' energy: -66.699
flat angles C4'-P-C4' energy: -77.394
flat angles P-C4'-P energy: -45.888
tors. eta vs tors. theta energy: -110.763
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: 4, replica: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1114.708057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.708057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.901943 (E_RNA)
where:
Base-Base interactions energy: -787.274
where: short stacking energy: -315.820
Base-Backbone interact. energy: -1.289
local terms energy: -330.338580
where:
bonds (distance) C4'-P energy: -63.496
bonds (distance) P-C4' energy: -68.838
flat angles C4'-P-C4' energy: -57.016
flat angles P-C4'-P energy: -48.717
tors. eta vs tors. theta energy: -92.271
Dist. restrs. and SS energy: 4.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1062.797852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.797852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.286582 (E_RNA)
where:
Base-Base interactions energy: -748.772
where: short stacking energy: -303.655
Base-Backbone interact. energy: 4.040
local terms energy: -319.553776
where:
bonds (distance) C4'-P energy: -64.756
bonds (distance) P-C4' energy: -61.036
flat angles C4'-P-C4' energy: -62.161
flat angles P-C4'-P energy: -48.223
tors. eta vs tors. theta energy: -83.377
Dist. restrs. and SS energy: 1.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1078.708704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.708704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.209661 (E_RNA)
where:
Base-Base interactions energy: -755.014
where: short stacking energy: -298.110
Base-Backbone interact. energy: -2.656
local terms energy: -325.539448
where:
bonds (distance) C4'-P energy: -60.974
bonds (distance) P-C4' energy: -56.177
flat angles C4'-P-C4' energy: -74.413
flat angles P-C4'-P energy: -53.229
tors. eta vs tors. theta energy: -80.746
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: 7, replica: 3
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1010.386575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.386575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.947540 (E_RNA)
where:
Base-Base interactions energy: -699.000
where: short stacking energy: -289.638
Base-Backbone interact. energy: -1.482
local terms energy: -314.465267
where:
bonds (distance) C4'-P energy: -58.167
bonds (distance) P-C4' energy: -58.098
flat angles C4'-P-C4' energy: -76.790
flat angles P-C4'-P energy: -44.669
tors. eta vs tors. theta energy: -76.741
Dist. restrs. and SS energy: 4.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -940.563639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.563639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.439653 (E_RNA)
where:
Base-Base interactions energy: -658.746
where: short stacking energy: -271.246
Base-Backbone interact. energy: 1.186
local terms energy: -290.880155
where:
bonds (distance) C4'-P energy: -68.742
bonds (distance) P-C4' energy: -59.600
flat angles C4'-P-C4' energy: -55.129
flat angles P-C4'-P energy: -36.010
tors. eta vs tors. theta energy: -71.398
Dist. restrs. and SS energy: 7.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -910.035447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.035447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.103552 (E_RNA)
where:
Base-Base interactions energy: -619.859
where: short stacking energy: -253.219
Base-Backbone interact. energy: 0.542
local terms energy: -297.786602
where:
bonds (distance) C4'-P energy: -65.138
bonds (distance) P-C4' energy: -59.637
flat angles C4'-P-C4' energy: -62.838
flat angles P-C4'-P energy: -41.855
tors. eta vs tors. theta energy: -68.318
Dist. restrs. and SS energy: 7.068 (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: 2
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -756.393643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.393643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.721330 (E_RNA)
where:
Base-Base interactions energy: -539.500
where: short stacking energy: -206.787
Base-Backbone interact. energy: -0.612
local terms energy: -228.609103
where:
bonds (distance) C4'-P energy: -53.073
bonds (distance) P-C4' energy: -59.528
flat angles C4'-P-C4' energy: -55.367
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: -43.644
Dist. restrs. and SS energy: 12.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1248.835129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.835129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.601363 (E_RNA)
where:
Base-Base interactions energy: -870.788
where: short stacking energy: -348.589
Base-Backbone interact. energy: 0.229
local terms energy: -383.041913
where:
bonds (distance) C4'-P energy: -72.616
bonds (distance) P-C4' energy: -70.869
flat angles C4'-P-C4' energy: -82.186
flat angles P-C4'-P energy: -52.674
tors. eta vs tors. theta energy: -104.697
Dist. restrs. and SS energy: 4.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1200.292623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.292623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.481356 (E_RNA)
where:
Base-Base interactions energy: -837.604
where: short stacking energy: -349.286
Base-Backbone interact. energy: -2.336
local terms energy: -364.541798
where:
bonds (distance) C4'-P energy: -68.700
bonds (distance) P-C4' energy: -62.749
flat angles C4'-P-C4' energy: -76.273
flat angles P-C4'-P energy: -52.476
tors. eta vs tors. theta energy: -104.343
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: 3, replica: 8
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1187.860872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.860872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.845510 (E_RNA)
where:
Base-Base interactions energy: -839.305
where: short stacking energy: -338.317
Base-Backbone interact. energy: -1.118
local terms energy: -352.422824
where:
bonds (distance) C4'-P energy: -80.992
bonds (distance) P-C4' energy: -64.373
flat angles C4'-P-C4' energy: -67.959
flat angles P-C4'-P energy: -45.219
tors. eta vs tors. theta energy: -93.881
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: 4, replica: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1117.727746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.727746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.107323 (E_RNA)
where:
Base-Base interactions energy: -788.492
where: short stacking energy: -323.889
Base-Backbone interact. energy: -1.259
local terms energy: -331.356104
where:
bonds (distance) C4'-P energy: -56.264
bonds (distance) P-C4' energy: -65.440
flat angles C4'-P-C4' energy: -77.243
flat angles P-C4'-P energy: -44.536
tors. eta vs tors. theta energy: -87.873
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: 5, replica: 1
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1038.435295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.435295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.714541 (E_RNA)
where:
Base-Base interactions energy: -710.187
where: short stacking energy: -286.698
Base-Backbone interact. energy: -2.249
local terms energy: -327.278567
where:
bonds (distance) C4'-P energy: -50.238
bonds (distance) P-C4' energy: -67.698
flat angles C4'-P-C4' energy: -75.500
flat angles P-C4'-P energy: -45.007
tors. eta vs tors. theta energy: -88.835
Dist. restrs. and SS energy: 1.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1034.319578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.319578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.282344 (E_RNA)
where:
Base-Base interactions energy: -732.720
where: short stacking energy: -311.705
Base-Backbone interact. energy: 4.895
local terms energy: -311.457722
where:
bonds (distance) C4'-P energy: -56.908
bonds (distance) P-C4' energy: -60.006
flat angles C4'-P-C4' energy: -63.248
flat angles P-C4'-P energy: -48.191
tors. eta vs tors. theta energy: -83.104
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: 7, replica: 3
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1004.010379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.010379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.865434 (E_RNA)
where:
Base-Base interactions energy: -705.751
where: short stacking energy: -279.278
Base-Backbone interact. energy: -0.466
local terms energy: -301.648979
where:
bonds (distance) C4'-P energy: -59.656
bonds (distance) P-C4' energy: -71.414
flat angles C4'-P-C4' energy: -59.146
flat angles P-C4'-P energy: -45.574
tors. eta vs tors. theta energy: -65.859
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: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -952.034092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.034092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.536139 (E_RNA)
where:
Base-Base interactions energy: -659.977
where: short stacking energy: -266.240
Base-Backbone interact. energy: -2.081
local terms energy: -296.477456
where:
bonds (distance) C4'-P energy: -55.976
bonds (distance) P-C4' energy: -73.879
flat angles C4'-P-C4' energy: -62.418
flat angles P-C4'-P energy: -37.562
tors. eta vs tors. theta energy: -66.642
Dist. restrs. and SS energy: 6.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -874.265819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.265819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.378049 (E_RNA)
where:
Base-Base interactions energy: -614.827
where: short stacking energy: -240.318
Base-Backbone interact. energy: -1.561
local terms energy: -263.990049
where:
bonds (distance) C4'-P energy: -45.914
bonds (distance) P-C4' energy: -53.827
flat angles C4'-P-C4' energy: -70.507
flat angles P-C4'-P energy: -42.261
tors. eta vs tors. theta energy: -51.482
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: 10, replica: 2
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -771.611437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.611437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.009933 (E_RNA)
where:
Base-Base interactions energy: -557.947
where: short stacking energy: -206.196
Base-Backbone interact. energy: 6.286
local terms energy: -226.349819
where:
bonds (distance) C4'-P energy: -40.923
bonds (distance) P-C4' energy: -56.579
flat angles C4'-P-C4' energy: -58.058
flat angles P-C4'-P energy: -26.795
tors. eta vs tors. theta energy: -43.995
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: 1, replica: 9
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1264.057669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.057669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.533837 (E_RNA)
where:
Base-Base interactions energy: -872.276
where: short stacking energy: -363.505
Base-Backbone interact. energy: -2.740
local terms energy: -394.517830
where:
bonds (distance) C4'-P energy: -67.256
bonds (distance) P-C4' energy: -74.303
flat angles C4'-P-C4' energy: -80.909
flat angles P-C4'-P energy: -58.371
tors. eta vs tors. theta energy: -113.678
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: 2, replica: 10
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1220.398047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.398047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.640693 (E_RNA)
where:
Base-Base interactions energy: -851.178
where: short stacking energy: -350.997
Base-Backbone interact. energy: -1.901
local terms energy: -370.561242
where:
bonds (distance) C4'-P energy: -61.485
bonds (distance) P-C4' energy: -71.295
flat angles C4'-P-C4' energy: -82.761
flat angles P-C4'-P energy: -50.381
tors. eta vs tors. theta energy: -104.640
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: 3, replica: 8
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1192.205874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.205874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.140393 (E_RNA)
where:
Base-Base interactions energy: -835.777
where: short stacking energy: -328.410
Base-Backbone interact. energy: -1.738
local terms energy: -359.626232
where:
bonds (distance) C4'-P energy: -61.837
bonds (distance) P-C4' energy: -68.199
flat angles C4'-P-C4' energy: -79.935
flat angles P-C4'-P energy: -48.209
tors. eta vs tors. theta energy: -101.446
Dist. restrs. and SS energy: 4.935 (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: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1130.111175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.111175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.855528 (E_RNA)
where:
Base-Base interactions energy: -789.044
where: short stacking energy: -330.595
Base-Backbone interact. energy: -2.783
local terms energy: -342.028091
where:
bonds (distance) C4'-P energy: -65.469
bonds (distance) P-C4' energy: -69.112
flat angles C4'-P-C4' energy: -72.932
flat angles P-C4'-P energy: -42.446
tors. eta vs tors. theta energy: -92.068
Dist. restrs. and SS energy: 3.744 (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: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1042.925697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.925697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.350721 (E_RNA)
where:
Base-Base interactions energy: -714.203
where: short stacking energy: -302.657
Base-Backbone interact. energy: 0.195
local terms energy: -331.342936
where:
bonds (distance) C4'-P energy: -58.272
bonds (distance) P-C4' energy: -60.931
flat angles C4'-P-C4' energy: -71.708
flat angles P-C4'-P energy: -50.233
tors. eta vs tors. theta energy: -90.199
Dist. restrs. and SS energy: 2.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1061.787303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.787303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.381624 (E_RNA)
where:
Base-Base interactions energy: -737.547
where: short stacking energy: -298.215
Base-Backbone interact. energy: -2.094
local terms energy: -325.739713
where:
bonds (distance) C4'-P energy: -54.188
bonds (distance) P-C4' energy: -75.929
flat angles C4'-P-C4' energy: -74.334
flat angles P-C4'-P energy: -44.062
tors. eta vs tors. theta energy: -77.228
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: 7, replica: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1015.201170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.201170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.644775 (E_RNA)
where:
Base-Base interactions energy: -704.340
where: short stacking energy: -277.371
Base-Backbone interact. energy: -1.591
local terms energy: -314.714388
where:
bonds (distance) C4'-P energy: -53.964
bonds (distance) P-C4' energy: -57.616
flat angles C4'-P-C4' energy: -71.966
flat angles P-C4'-P energy: -50.809
tors. eta vs tors. theta energy: -80.360
Dist. restrs. and SS energy: 5.444 (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: 4
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -913.582700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.582700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.765967 (E_RNA)
where:
Base-Base interactions energy: -656.850
where: short stacking energy: -247.165
Base-Backbone interact. energy: 0.187
local terms energy: -258.103082
where:
bonds (distance) C4'-P energy: -51.171
bonds (distance) P-C4' energy: -45.914
flat angles C4'-P-C4' energy: -65.757
flat angles P-C4'-P energy: -40.408
tors. eta vs tors. theta energy: -54.853
Dist. restrs. and SS energy: 1.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -914.532976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.532976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.257656 (E_RNA)
where:
Base-Base interactions energy: -637.788
where: short stacking energy: -242.862
Base-Backbone interact. energy: -3.020
local terms energy: -283.450144
where:
bonds (distance) C4'-P energy: -58.474
bonds (distance) P-C4' energy: -68.754
flat angles C4'-P-C4' energy: -65.366
flat angles P-C4'-P energy: -39.139
tors. eta vs tors. theta energy: -51.717
Dist. restrs. and SS energy: 9.725 (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: 2
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -842.599794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.599794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.387520 (E_RNA)
where:
Base-Base interactions energy: -597.480
where: short stacking energy: -229.029
Base-Backbone interact. energy: -0.056
local terms energy: -250.851682
where:
bonds (distance) C4'-P energy: -49.850
bonds (distance) P-C4' energy: -51.733
flat angles C4'-P-C4' energy: -65.286
flat angles P-C4'-P energy: -33.113
tors. eta vs tors. theta energy: -50.871
Dist. restrs. and SS energy: 5.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1259.340117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.340117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.253685 (E_RNA)
where:
Base-Base interactions energy: -882.956
where: short stacking energy: -361.220
Base-Backbone interact. energy: -1.421
local terms energy: -379.876851
where:
bonds (distance) C4'-P energy: -65.140
bonds (distance) P-C4' energy: -74.792
flat angles C4'-P-C4' energy: -76.760
flat angles P-C4'-P energy: -55.496
tors. eta vs tors. theta energy: -107.689
Dist. restrs. and SS energy: 4.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1202.617549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.617549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.378763 (E_RNA)
where:
Base-Base interactions energy: -826.669
where: short stacking energy: -334.309
Base-Backbone interact. energy: -3.632
local terms energy: -375.077767
where:
bonds (distance) C4'-P energy: -67.203
bonds (distance) P-C4' energy: -72.413
flat angles C4'-P-C4' energy: -82.846
flat angles P-C4'-P energy: -50.340
tors. eta vs tors. theta energy: -102.275
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: 3, replica: 8
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1199.338611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.338611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.467960 (E_RNA)
where:
Base-Base interactions energy: -842.726
where: short stacking energy: -335.924
Base-Backbone interact. energy: -1.238
local terms energy: -358.504215
where:
bonds (distance) C4'-P energy: -63.355
bonds (distance) P-C4' energy: -61.521
flat angles C4'-P-C4' energy: -78.542
flat angles P-C4'-P energy: -54.596
tors. eta vs tors. theta energy: -100.491
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: 4, replica: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1141.400403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.400403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.190707 (E_RNA)
where:
Base-Base interactions energy: -809.926
where: short stacking energy: -337.842
Base-Backbone interact. energy: -1.203
local terms energy: -334.060876
where:
bonds (distance) C4'-P energy: -66.502
bonds (distance) P-C4' energy: -53.901
flat angles C4'-P-C4' energy: -66.851
flat angles P-C4'-P energy: -54.566
tors. eta vs tors. theta energy: -92.242
Dist. restrs. and SS energy: 3.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1097.795429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.795429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.263360 (E_RNA)
where:
Base-Base interactions energy: -761.703
where: short stacking energy: -316.419
Base-Backbone interact. energy: -2.241
local terms energy: -340.319265
where:
bonds (distance) C4'-P energy: -65.123
bonds (distance) P-C4' energy: -69.620
flat angles C4'-P-C4' energy: -75.502
flat angles P-C4'-P energy: -39.367
tors. eta vs tors. theta energy: -90.707
Dist. restrs. and SS energy: 6.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1026.317108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.317108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.972918 (E_RNA)
where:
Base-Base interactions energy: -695.664
where: short stacking energy: -300.331
Base-Backbone interact. energy: -1.688
local terms energy: -331.620694
where:
bonds (distance) C4'-P energy: -74.568
bonds (distance) P-C4' energy: -54.241
flat angles C4'-P-C4' energy: -64.554
flat angles P-C4'-P energy: -54.866
tors. eta vs tors. theta energy: -83.393
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: 7, replica: 3
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1031.375918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.375918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.717066 (E_RNA)
where:
Base-Base interactions energy: -727.535
where: short stacking energy: -287.624
Base-Backbone interact. energy: -4.043
local terms energy: -304.138654
where:
bonds (distance) C4'-P energy: -58.375
bonds (distance) P-C4' energy: -60.034
flat angles C4'-P-C4' energy: -68.822
flat angles P-C4'-P energy: -45.844
tors. eta vs tors. theta energy: -71.063
Dist. restrs. and SS energy: 4.341 (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: 4
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -931.563496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.563496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.931437 (E_RNA)
where:
Base-Base interactions energy: -650.417
where: short stacking energy: -249.493
Base-Backbone interact. energy: 0.004
local terms energy: -287.518435
where:
bonds (distance) C4'-P energy: -55.516
bonds (distance) P-C4' energy: -64.242
flat angles C4'-P-C4' energy: -65.933
flat angles P-C4'-P energy: -43.112
tors. eta vs tors. theta energy: -58.716
Dist. restrs. and SS energy: 6.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -937.871761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.871761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.429173 (E_RNA)
where:
Base-Base interactions energy: -629.520
where: short stacking energy: -253.842
Base-Backbone interact. energy: -0.195
local terms energy: -314.714163
where:
bonds (distance) C4'-P energy: -64.004
bonds (distance) P-C4' energy: -63.310
flat angles C4'-P-C4' energy: -68.780
flat angles P-C4'-P energy: -48.443
tors. eta vs tors. theta energy: -70.178
Dist. restrs. and SS energy: 6.557 (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: 98
Temperature: 1.350000
Total energy: -800.168262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.168262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.537378 (E_RNA)
where:
Base-Base interactions energy: -542.892
where: short stacking energy: -205.232
Base-Backbone interact. energy: -0.853
local terms energy: -260.792103
where:
bonds (distance) C4'-P energy: -56.246
bonds (distance) P-C4' energy: -56.449
flat angles C4'-P-C4' energy: -65.270
flat angles P-C4'-P energy: -39.482
tors. eta vs tors. theta energy: -43.345
Dist. restrs. and SS energy: 4.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1247.889133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.889133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.166573 (E_RNA)
where:
Base-Base interactions energy: -867.484
where: short stacking energy: -363.671
Base-Backbone interact. energy: -2.196
local terms energy: -383.486329
where:
bonds (distance) C4'-P energy: -72.291
bonds (distance) P-C4' energy: -71.643
flat angles C4'-P-C4' energy: -82.883
flat angles P-C4'-P energy: -53.342
tors. eta vs tors. theta energy: -103.327
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: 2, replica: 8
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1250.594302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.594302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.548177 (E_RNA)
where:
Base-Base interactions energy: -889.549
where: short stacking energy: -373.301
Base-Backbone interact. energy: -2.747
local terms energy: -362.251601
where:
bonds (distance) C4'-P energy: -64.450
bonds (distance) P-C4' energy: -61.630
flat angles C4'-P-C4' energy: -71.273
flat angles P-C4'-P energy: -58.348
tors. eta vs tors. theta energy: -106.552
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: 3, replica: 10
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1158.479593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.479593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.061205 (E_RNA)
where:
Base-Base interactions energy: -815.049
where: short stacking energy: -339.074
Base-Backbone interact. energy: -1.513
local terms energy: -346.498306
where:
bonds (distance) C4'-P energy: -55.850
bonds (distance) P-C4' energy: -72.193
flat angles C4'-P-C4' energy: -69.776
flat angles P-C4'-P energy: -56.595
tors. eta vs tors. theta energy: -92.083
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: 4, replica: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1130.897096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.897096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.984561 (E_RNA)
where:
Base-Base interactions energy: -786.341
where: short stacking energy: -329.722
Base-Backbone interact. energy: 1.310
local terms energy: -349.952990
where:
bonds (distance) C4'-P energy: -57.085
bonds (distance) P-C4' energy: -76.144
flat angles C4'-P-C4' energy: -70.696
flat angles P-C4'-P energy: -51.842
tors. eta vs tors. theta energy: -94.185
Dist. restrs. and SS energy: 4.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1060.882347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.882347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.378580 (E_RNA)
where:
Base-Base interactions energy: -732.534
where: short stacking energy: -300.872
Base-Backbone interact. energy: 3.221
local terms energy: -336.065654
where:
bonds (distance) C4'-P energy: -56.825
bonds (distance) P-C4' energy: -63.675
flat angles C4'-P-C4' energy: -78.521
flat angles P-C4'-P energy: -58.139
tors. eta vs tors. theta energy: -78.905
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: 6, replica: 3
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1027.101366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.101366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.860749 (E_RNA)
where:
Base-Base interactions energy: -729.790
where: short stacking energy: -291.343
Base-Backbone interact. energy: -1.912
local terms energy: -297.158962
where:
bonds (distance) C4'-P energy: -57.658
bonds (distance) P-C4' energy: -51.483
flat angles C4'-P-C4' energy: -58.680
flat angles P-C4'-P energy: -45.948
tors. eta vs tors. theta energy: -83.389
Dist. restrs. and SS energy: 1.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1004.078864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.078864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.619669 (E_RNA)
where:
Base-Base interactions energy: -695.220
where: short stacking energy: -312.929
Base-Backbone interact. energy: -0.627
local terms energy: -312.772384
where:
bonds (distance) C4'-P energy: -49.080
bonds (distance) P-C4' energy: -59.340
flat angles C4'-P-C4' energy: -67.704
flat angles P-C4'-P energy: -47.989
tors. eta vs tors. theta energy: -88.659
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: 8, replica: 4
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -924.952538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.952538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.627751 (E_RNA)
where:
Base-Base interactions energy: -655.286
where: short stacking energy: -275.353
Base-Backbone interact. energy: 1.783
local terms energy: -282.125167
where:
bonds (distance) C4'-P energy: -61.176
bonds (distance) P-C4' energy: -50.350
flat angles C4'-P-C4' energy: -61.541
flat angles P-C4'-P energy: -47.100
tors. eta vs tors. theta energy: -61.958
Dist. restrs. and SS energy: 10.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -905.466772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.466772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.006579 (E_RNA)
where:
Base-Base interactions energy: -624.473
where: short stacking energy: -245.474
Base-Backbone interact. energy: 3.774
local terms energy: -286.307823
where:
bonds (distance) C4'-P energy: -52.976
bonds (distance) P-C4' energy: -54.981
flat angles C4'-P-C4' energy: -66.583
flat angles P-C4'-P energy: -41.656
tors. eta vs tors. theta energy: -70.112
Dist. restrs. and SS energy: 1.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -805.424130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.424130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.956227 (E_RNA)
where:
Base-Base interactions energy: -558.823
where: short stacking energy: -223.425
Base-Backbone interact. energy: -3.312
local terms energy: -246.821308
where:
bonds (distance) C4'-P energy: -53.255
bonds (distance) P-C4' energy: -47.322
flat angles C4'-P-C4' energy: -62.157
flat angles P-C4'-P energy: -40.279
tors. eta vs tors. theta energy: -43.808
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: 1, replica: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1241.751279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.751279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.231268 (E_RNA)
where:
Base-Base interactions energy: -865.120
where: short stacking energy: -360.047
Base-Backbone interact. energy: -0.828
local terms energy: -381.283853
where:
bonds (distance) C4'-P energy: -64.148
bonds (distance) P-C4' energy: -72.061
flat angles C4'-P-C4' energy: -73.807
flat angles P-C4'-P energy: -60.167
tors. eta vs tors. theta energy: -111.101
Dist. restrs. and SS energy: 5.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1241.008940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.008940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.375416 (E_RNA)
where:
Base-Base interactions energy: -876.288
where: short stacking energy: -369.150
Base-Backbone interact. energy: -4.330
local terms energy: -363.756749
where:
bonds (distance) C4'-P energy: -64.183
bonds (distance) P-C4' energy: -66.299
flat angles C4'-P-C4' energy: -79.799
flat angles P-C4'-P energy: -45.071
tors. eta vs tors. theta energy: -108.405
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: 3, replica: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1190.497192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.497192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.704698 (E_RNA)
where:
Base-Base interactions energy: -824.512
where: short stacking energy: -329.370
Base-Backbone interact. energy: -2.696
local terms energy: -366.496574
where:
bonds (distance) C4'-P energy: -66.764
bonds (distance) P-C4' energy: -71.170
flat angles C4'-P-C4' energy: -75.983
flat angles P-C4'-P energy: -58.263
tors. eta vs tors. theta energy: -94.317
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: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1139.568160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.568160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.444659 (E_RNA)
where:
Base-Base interactions energy: -789.582
where: short stacking energy: -326.417
Base-Backbone interact. energy: -2.945
local terms energy: -350.917791
where:
bonds (distance) C4'-P energy: -57.075
bonds (distance) P-C4' energy: -63.489
flat angles C4'-P-C4' energy: -79.450
flat angles P-C4'-P energy: -49.889
tors. eta vs tors. theta energy: -101.014
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: 5, replica: 3
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1100.561911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.561911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.741148 (E_RNA)
where:
Base-Base interactions energy: -791.802
where: short stacking energy: -305.797
Base-Backbone interact. energy: -0.084
local terms energy: -311.855227
where:
bonds (distance) C4'-P energy: -54.779
bonds (distance) P-C4' energy: -65.183
flat angles C4'-P-C4' energy: -68.920
flat angles P-C4'-P energy: -45.406
tors. eta vs tors. theta energy: -77.567
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: 100
Temperature: 1.150000
Total energy: -1043.236923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.236923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.144281 (E_RNA)
where:
Base-Base interactions energy: -740.537
where: short stacking energy: -292.707
Base-Backbone interact. energy: -2.180
local terms energy: -303.427434
where:
bonds (distance) C4'-P energy: -61.994
bonds (distance) P-C4' energy: -64.626
flat angles C4'-P-C4' energy: -53.569
flat angles P-C4'-P energy: -43.678
tors. eta vs tors. theta energy: -79.560
Dist. restrs. and SS energy: 2.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -952.236542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.236542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.930051 (E_RNA)
where:
Base-Base interactions energy: -671.629
where: short stacking energy: -282.060
Base-Backbone interact. energy: -1.086
local terms energy: -290.215052
where:
bonds (distance) C4'-P energy: -57.454
bonds (distance) P-C4' energy: -61.431
flat angles C4'-P-C4' energy: -56.268
flat angles P-C4'-P energy: -39.479
tors. eta vs tors. theta energy: -75.583
Dist. restrs. and SS energy: 10.694 (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: 1
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -980.982453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.982453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.601838 (E_RNA)
where:
Base-Base interactions energy: -691.703
where: short stacking energy: -264.603
Base-Backbone interact. energy: -1.857
local terms energy: -288.042516
where:
bonds (distance) C4'-P energy: -47.728
bonds (distance) P-C4' energy: -63.917
flat angles C4'-P-C4' energy: -66.176
flat angles P-C4'-P energy: -46.951
tors. eta vs tors. theta energy: -63.270
Dist. restrs. and SS energy: 0.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -934.509052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.509052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.869063 (E_RNA)
where:
Base-Base interactions energy: -646.671
where: short stacking energy: -263.827
Base-Backbone interact. energy: 1.953
local terms energy: -292.151437
where:
bonds (distance) C4'-P energy: -57.065
bonds (distance) P-C4' energy: -69.122
flat angles C4'-P-C4' energy: -63.901
flat angles P-C4'-P energy: -39.432
tors. eta vs tors. theta energy: -62.632
Dist. restrs. and SS energy: 2.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -788.467552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.467552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.831727 (E_RNA)
where:
Base-Base interactions energy: -545.054
where: short stacking energy: -219.289
Base-Backbone interact. energy: 10.957
local terms energy: -264.733873
where:
bonds (distance) C4'-P energy: -48.984
bonds (distance) P-C4' energy: -81.096
flat angles C4'-P-C4' energy: -67.286
flat angles P-C4'-P energy: -32.519
tors. eta vs tors. theta energy: -34.850
Dist. restrs. and SS energy: 10.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1253.470608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.470608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.915560 (E_RNA)
where:
Base-Base interactions energy: -870.518
where: short stacking energy: -371.633
Base-Backbone interact. energy: -2.282
local terms energy: -387.116107
where:
bonds (distance) C4'-P energy: -69.120
bonds (distance) P-C4' energy: -75.571
flat angles C4'-P-C4' energy: -81.244
flat angles P-C4'-P energy: -48.464
tors. eta vs tors. theta energy: -112.718
Dist. restrs. and SS energy: 6.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1224.118830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.118830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.181092 (E_RNA)
where:
Base-Base interactions energy: -868.159
where: short stacking energy: -359.273
Base-Backbone interact. energy: -3.285
local terms energy: -356.737312
where:
bonds (distance) C4'-P energy: -63.308
bonds (distance) P-C4' energy: -60.561
flat angles C4'-P-C4' energy: -76.504
flat angles P-C4'-P energy: -49.267
tors. eta vs tors. theta energy: -107.096
Dist. restrs. and SS energy: 4.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1182.122420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.122420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.540826 (E_RNA)
where:
Base-Base interactions energy: -841.702
where: short stacking energy: -345.879
Base-Backbone interact. energy: -2.188
local terms energy: -342.650748
where:
bonds (distance) C4'-P energy: -67.389
bonds (distance) P-C4' energy: -50.598
flat angles C4'-P-C4' energy: -76.559
flat angles P-C4'-P energy: -51.399
tors. eta vs tors. theta energy: -96.707
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: 4, replica: 3
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1138.619959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.619959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.371823 (E_RNA)
where:
Base-Base interactions energy: -785.163
where: short stacking energy: -322.065
Base-Backbone interact. energy: -3.133
local terms energy: -352.075501
where:
bonds (distance) C4'-P energy: -68.095
bonds (distance) P-C4' energy: -68.306
flat angles C4'-P-C4' energy: -69.948
flat angles P-C4'-P energy: -61.274
tors. eta vs tors. theta energy: -84.452
Dist. restrs. and SS energy: 1.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1086.024370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.024370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.210289 (E_RNA)
where:
Base-Base interactions energy: -745.648
where: short stacking energy: -300.161
Base-Backbone interact. energy: -0.432
local terms energy: -344.129956
where:
bonds (distance) C4'-P energy: -70.285
bonds (distance) P-C4' energy: -64.993
flat angles C4'-P-C4' energy: -77.007
flat angles P-C4'-P energy: -46.008
tors. eta vs tors. theta energy: -85.836
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: 4
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -994.411800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.411800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.586460 (E_RNA)
where:
Base-Base interactions energy: -695.446
where: short stacking energy: -287.476
Base-Backbone interact. energy: -4.051
local terms energy: -302.090115
where:
bonds (distance) C4'-P energy: -55.807
bonds (distance) P-C4' energy: -54.468
flat angles C4'-P-C4' energy: -63.463
flat angles P-C4'-P energy: -44.329
tors. eta vs tors. theta energy: -84.022
Dist. restrs. and SS energy: 7.175 (S_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: 101
Temperature: 1.200000
Total energy: -1022.837464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.837464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.331941 (E_RNA)
where:
Base-Base interactions energy: -704.997
where: short stacking energy: -266.961
Base-Backbone interact. energy: -1.558
local terms energy: -323.776534
where:
bonds (distance) C4'-P energy: -67.357
bonds (distance) P-C4' energy: -70.916
flat angles C4'-P-C4' energy: -66.534
flat angles P-C4'-P energy: -41.435
tors. eta vs tors. theta energy: -77.534
Dist. restrs. and SS energy: 7.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -939.251948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.251948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.540947 (E_RNA)
where:
Base-Base interactions energy: -657.358
where: short stacking energy: -251.715
Base-Backbone interact. energy: -2.762
local terms energy: -282.420920
where:
bonds (distance) C4'-P energy: -59.660
bonds (distance) P-C4' energy: -55.005
flat angles C4'-P-C4' energy: -69.218
flat angles P-C4'-P energy: -35.229
tors. eta vs tors. theta energy: -63.310
Dist. restrs. and SS energy: 3.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -944.294978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.294978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.437417 (E_RNA)
where:
Base-Base interactions energy: -662.871
where: short stacking energy: -258.110
Base-Backbone interact. energy: 1.266
local terms energy: -286.832691
where:
bonds (distance) C4'-P energy: -68.799
bonds (distance) P-C4' energy: -40.307
flat angles C4'-P-C4' energy: -70.224
flat angles P-C4'-P energy: -38.278
tors. eta vs tors. theta energy: -69.225
Dist. restrs. and SS energy: 4.142 (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: 2
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -831.766045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.766045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.866553 (E_RNA)
where:
Base-Base interactions energy: -567.382
where: short stacking energy: -221.761
Base-Backbone interact. energy: 3.743
local terms energy: -274.227159
where:
bonds (distance) C4'-P energy: -44.931
bonds (distance) P-C4' energy: -61.069
flat angles C4'-P-C4' energy: -64.500
flat angles P-C4'-P energy: -46.944
tors. eta vs tors. theta energy: -56.783
Dist. restrs. and SS energy: 6.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1256.317048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.317048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.261684 (E_RNA)
where:
Base-Base interactions energy: -863.977
where: short stacking energy: -392.530
Base-Backbone interact. energy: -1.987
local terms energy: -397.297617
where:
bonds (distance) C4'-P energy: -62.889
bonds (distance) P-C4' energy: -76.690
flat angles C4'-P-C4' energy: -85.974
flat angles P-C4'-P energy: -56.170
tors. eta vs tors. theta energy: -115.576
Dist. restrs. and SS energy: 6.945 (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: 8
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1217.005782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.005782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.131982 (E_RNA)
where:
Base-Base interactions energy: -838.149
where: short stacking energy: -343.088
Base-Backbone interact. energy: 3.347
local terms energy: -386.330326
where:
bonds (distance) C4'-P energy: -70.350
bonds (distance) P-C4' energy: -74.091
flat angles C4'-P-C4' energy: -79.068
flat angles P-C4'-P energy: -62.463
tors. eta vs tors. theta energy: -100.358
Dist. restrs. and SS energy: 4.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1188.250327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.250327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.662973 (E_RNA)
where:
Base-Base interactions energy: -839.766
where: short stacking energy: -348.465
Base-Backbone interact. energy: 3.169
local terms energy: -356.066394
where:
bonds (distance) C4'-P energy: -57.897
bonds (distance) P-C4' energy: -71.217
flat angles C4'-P-C4' energy: -78.250
flat angles P-C4'-P energy: -53.327
tors. eta vs tors. theta energy: -95.376
Dist. restrs. and SS energy: 4.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1136.803238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.803238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.374918 (E_RNA)
where:
Base-Base interactions energy: -790.343
where: short stacking energy: -332.808
Base-Backbone interact. energy: -4.137
local terms energy: -343.895281
where:
bonds (distance) C4'-P energy: -67.226
bonds (distance) P-C4' energy: -64.283
flat angles C4'-P-C4' energy: -68.033
flat angles P-C4'-P energy: -47.835
tors. eta vs tors. theta energy: -96.518
Dist. restrs. and SS energy: 1.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1055.353682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.353682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.762551 (E_RNA)
where:
Base-Base interactions energy: -738.913
where: short stacking energy: -297.035
Base-Backbone interact. energy: -2.217
local terms energy: -317.632291
where:
bonds (distance) C4'-P energy: -64.719
bonds (distance) P-C4' energy: -59.470
flat angles C4'-P-C4' energy: -61.021
flat angles P-C4'-P energy: -50.922
tors. eta vs tors. theta energy: -81.500
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: 6, replica: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1016.368182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.368182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.206908 (E_RNA)
where:
Base-Base interactions energy: -691.017
where: short stacking energy: -295.506
Base-Backbone interact. energy: -0.221
local terms energy: -331.968983
where:
bonds (distance) C4'-P energy: -70.611
bonds (distance) P-C4' energy: -62.390
flat angles C4'-P-C4' energy: -73.382
flat angles P-C4'-P energy: -49.025
tors. eta vs tors. theta energy: -76.561
Dist. restrs. and SS energy: 6.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1018.872614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.872614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.132789 (E_RNA)
where:
Base-Base interactions energy: -733.130
where: short stacking energy: -287.945
Base-Backbone interact. energy: 4.255
local terms energy: -298.258157
where:
bonds (distance) C4'-P energy: -55.291
bonds (distance) P-C4' energy: -56.422
flat angles C4'-P-C4' energy: -65.138
flat angles P-C4'-P energy: -39.090
tors. eta vs tors. theta energy: -82.318
Dist. restrs. and SS energy: 8.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -934.511868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.511868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.249722 (E_RNA)
where:
Base-Base interactions energy: -651.010
where: short stacking energy: -259.500
Base-Backbone interact. energy: 0.080
local terms energy: -284.320060
where:
bonds (distance) C4'-P energy: -55.268
bonds (distance) P-C4' energy: -51.273
flat angles C4'-P-C4' energy: -73.341
flat angles P-C4'-P energy: -41.284
tors. eta vs tors. theta energy: -63.155
Dist. restrs. and SS energy: 0.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -913.631382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.631382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.528797 (E_RNA)
where:
Base-Base interactions energy: -650.021
where: short stacking energy: -254.895
Base-Backbone interact. energy: 1.060
local terms energy: -270.568243
where:
bonds (distance) C4'-P energy: -45.698
bonds (distance) P-C4' energy: -52.101
flat angles C4'-P-C4' energy: -62.887
flat angles P-C4'-P energy: -45.706
tors. eta vs tors. theta energy: -64.175
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: 2
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -870.835831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.835831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.648215 (E_RNA)
where:
Base-Base interactions energy: -608.027
where: short stacking energy: -232.809
Base-Backbone interact. energy: -0.575
local terms energy: -267.046388
where:
bonds (distance) C4'-P energy: -50.940
bonds (distance) P-C4' energy: -66.372
flat angles C4'-P-C4' energy: -54.734
flat angles P-C4'-P energy: -45.328
tors. eta vs tors. theta energy: -49.672
Dist. restrs. and SS energy: 4.812 (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: 9
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1261.381341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.381341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.522748 (E_RNA)
where:
Base-Base interactions energy: -866.629
where: short stacking energy: -378.191
Base-Backbone interact. energy: -0.697
local terms energy: -400.196738
where:
bonds (distance) C4'-P energy: -75.403
bonds (distance) P-C4' energy: -80.147
flat angles C4'-P-C4' energy: -80.966
flat angles P-C4'-P energy: -57.577
tors. eta vs tors. theta energy: -106.103
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: 2, replica: 8
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1226.295583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.295583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.788456 (E_RNA)
where:
Base-Base interactions energy: -869.365
where: short stacking energy: -355.947
Base-Backbone interact. energy: -0.694
local terms energy: -359.729737
where:
bonds (distance) C4'-P energy: -71.478
bonds (distance) P-C4' energy: -56.410
flat angles C4'-P-C4' energy: -73.472
flat angles P-C4'-P energy: -54.607
tors. eta vs tors. theta energy: -103.763
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: 3, replica: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1156.862503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.862503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.472188 (E_RNA)
where:
Base-Base interactions energy: -829.109
where: short stacking energy: -332.151
Base-Backbone interact. energy: -2.202
local terms energy: -329.161288
where:
bonds (distance) C4'-P energy: -64.484
bonds (distance) P-C4' energy: -67.299
flat angles C4'-P-C4' energy: -64.426
flat angles P-C4'-P energy: -46.671
tors. eta vs tors. theta energy: -86.281
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: 4, replica: 3
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1106.350610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.350610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.439359 (E_RNA)
where:
Base-Base interactions energy: -777.403
where: short stacking energy: -310.718
Base-Backbone interact. energy: -0.463
local terms energy: -329.572831
where:
bonds (distance) C4'-P energy: -55.463
bonds (distance) P-C4' energy: -77.529
flat angles C4'-P-C4' energy: -67.552
flat angles P-C4'-P energy: -48.991
tors. eta vs tors. theta energy: -80.038
Dist. restrs. and SS energy: 1.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1098.806188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.806188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.252442 (E_RNA)
where:
Base-Base interactions energy: -771.547
where: short stacking energy: -312.163
Base-Backbone interact. energy: -1.370
local terms energy: -330.335832
where:
bonds (distance) C4'-P energy: -52.141
bonds (distance) P-C4' energy: -60.863
flat angles C4'-P-C4' energy: -72.585
flat angles P-C4'-P energy: -56.514
tors. eta vs tors. theta energy: -88.233
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: 103
Temperature: 1.150000
Total energy: -1044.459508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.459508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.603997 (E_RNA)
where:
Base-Base interactions energy: -722.464
where: short stacking energy: -299.824
Base-Backbone interact. energy: -1.496
local terms energy: -323.643764
where:
bonds (distance) C4'-P energy: -66.427
bonds (distance) P-C4' energy: -63.639
flat angles C4'-P-C4' energy: -70.608
flat angles P-C4'-P energy: -38.623
tors. eta vs tors. theta energy: -84.347
Dist. restrs. and SS energy: 3.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1010.268802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.268802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.026059 (E_RNA)
where:
Base-Base interactions energy: -701.085
where: short stacking energy: -264.564
Base-Backbone interact. energy: -1.028
local terms energy: -314.912723
where:
bonds (distance) C4'-P energy: -67.590
bonds (distance) P-C4' energy: -58.466
flat angles C4'-P-C4' energy: -69.880
flat angles P-C4'-P energy: -47.299
tors. eta vs tors. theta energy: -71.678
Dist. restrs. and SS energy: 6.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -982.939966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.939966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.148801 (E_RNA)
where:
Base-Base interactions energy: -693.982
where: short stacking energy: -268.222
Base-Backbone interact. energy: -3.839
local terms energy: -286.327665
where:
bonds (distance) C4'-P energy: -46.657
bonds (distance) P-C4' energy: -51.427
flat angles C4'-P-C4' energy: -63.781
flat angles P-C4'-P energy: -46.792
tors. eta vs tors. theta energy: -77.670
Dist. restrs. and SS energy: 1.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -925.185161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.185161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.930188 (E_RNA)
where:
Base-Base interactions energy: -663.950
where: short stacking energy: -275.649
Base-Backbone interact. energy: -2.320
local terms energy: -260.660114
where:
bonds (distance) C4'-P energy: -55.785
bonds (distance) P-C4' energy: -39.182
flat angles C4'-P-C4' energy: -61.093
flat angles P-C4'-P energy: -34.750
tors. eta vs tors. theta energy: -69.851
Dist. restrs. and SS energy: 1.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -851.835670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.835670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.762283 (E_RNA)
where:
Base-Base interactions energy: -573.037
where: short stacking energy: -222.844
Base-Backbone interact. energy: 0.175
local terms energy: -282.900569
where:
bonds (distance) C4'-P energy: -47.269
bonds (distance) P-C4' energy: -65.688
flat angles C4'-P-C4' energy: -67.500
flat angles P-C4'-P energy: -42.569
tors. eta vs tors. theta energy: -59.875
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: 1, replica: 9
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1256.997408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.997408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.498059 (E_RNA)
where:
Base-Base interactions energy: -876.022
where: short stacking energy: -363.175
Base-Backbone interact. energy: 1.207
local terms energy: -386.683034
where:
bonds (distance) C4'-P energy: -65.903
bonds (distance) P-C4' energy: -81.469
flat angles C4'-P-C4' energy: -71.498
flat angles P-C4'-P energy: -59.011
tors. eta vs tors. theta energy: -108.801
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: 2, replica: 8
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1231.345256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.345256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.512375 (E_RNA)
where:
Base-Base interactions energy: -862.473
where: short stacking energy: -356.146
Base-Backbone interact. energy: -1.341
local terms energy: -370.698315
where:
bonds (distance) C4'-P energy: -70.356
bonds (distance) P-C4' energy: -72.099
flat angles C4'-P-C4' energy: -77.597
flat angles P-C4'-P energy: -43.525
tors. eta vs tors. theta energy: -107.122
Dist. restrs. and SS energy: 3.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1155.510342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.510342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.261618 (E_RNA)
where:
Base-Base interactions energy: -812.253
where: short stacking energy: -344.123
Base-Backbone interact. energy: -1.790
local terms energy: -345.218555
where:
bonds (distance) C4'-P energy: -64.161
bonds (distance) P-C4' energy: -67.498
flat angles C4'-P-C4' energy: -73.050
flat angles P-C4'-P energy: -50.749
tors. eta vs tors. theta energy: -89.760
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: 104
Temperature: 1.050000
Total energy: -1138.556739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.556739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.314266 (E_RNA)
where:
Base-Base interactions energy: -789.633
where: short stacking energy: -323.125
Base-Backbone interact. energy: -3.251
local terms energy: -346.430082
where:
bonds (distance) C4'-P energy: -72.337
bonds (distance) P-C4' energy: -66.688
flat angles C4'-P-C4' energy: -68.185
flat angles P-C4'-P energy: -49.610
tors. eta vs tors. theta energy: -89.611
Dist. restrs. and SS energy: 0.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1082.832974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.832974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.182910 (E_RNA)
where:
Base-Base interactions energy: -772.943
where: short stacking energy: -298.272
Base-Backbone interact. energy: 0.774
local terms energy: -313.014038
where:
bonds (distance) C4'-P energy: -49.879
bonds (distance) P-C4' energy: -64.651
flat angles C4'-P-C4' energy: -63.820
flat angles P-C4'-P energy: -49.975
tors. eta vs tors. theta energy: -84.689
Dist. restrs. and SS energy: 2.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1048.705264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.705264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.743378 (E_RNA)
where:
Base-Base interactions energy: -718.943
where: short stacking energy: -311.287
Base-Backbone interact. energy: 0.474
local terms energy: -334.274698
where:
bonds (distance) C4'-P energy: -66.657
bonds (distance) P-C4' energy: -56.159
flat angles C4'-P-C4' energy: -71.498
flat angles P-C4'-P energy: -50.531
tors. eta vs tors. theta energy: -89.429
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: 7, replica: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1006.230060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.230060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.126204 (E_RNA)
where:
Base-Base interactions energy: -698.252
where: short stacking energy: -289.017
Base-Backbone interact. energy: 1.052
local terms energy: -311.926805
where:
bonds (distance) C4'-P energy: -55.557
bonds (distance) P-C4' energy: -76.199
flat angles C4'-P-C4' energy: -59.043
flat angles P-C4'-P energy: -38.567
tors. eta vs tors. theta energy: -82.561
Dist. restrs. and SS energy: 2.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -966.236917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.236917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.098193 (E_RNA)
where:
Base-Base interactions energy: -675.884
where: short stacking energy: -280.921
Base-Backbone interact. energy: -2.264
local terms energy: -288.949317
where:
bonds (distance) C4'-P energy: -49.075
bonds (distance) P-C4' energy: -62.048
flat angles C4'-P-C4' energy: -58.947
flat angles P-C4'-P energy: -49.823
tors. eta vs tors. theta energy: -69.057
Dist. restrs. and SS energy: 0.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -895.157645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.157645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.029743 (E_RNA)
where:
Base-Base interactions energy: -611.555
where: short stacking energy: -254.987
Base-Backbone interact. energy: 1.908
local terms energy: -293.382284
where:
bonds (distance) C4'-P energy: -63.437
bonds (distance) P-C4' energy: -50.637
flat angles C4'-P-C4' energy: -64.476
flat angles P-C4'-P energy: -47.360
tors. eta vs tors. theta energy: -67.472
Dist. restrs. and SS energy: 7.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -906.135323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.135323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.350744 (E_RNA)
where:
Base-Base interactions energy: -631.372
where: short stacking energy: -252.568
Base-Backbone interact. energy: 1.519
local terms energy: -281.498412
where:
bonds (distance) C4'-P energy: -56.880
bonds (distance) P-C4' energy: -58.159
flat angles C4'-P-C4' energy: -59.749
flat angles P-C4'-P energy: -44.456
tors. eta vs tors. theta energy: -62.255
Dist. restrs. and SS energy: 5.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1243.300578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.300578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.159868 (E_RNA)
where:
Base-Base interactions energy: -884.556
where: short stacking energy: -375.584
Base-Backbone interact. energy: -0.386
local terms energy: -363.217697
where:
bonds (distance) C4'-P energy: -60.327
bonds (distance) P-C4' energy: -67.710
flat angles C4'-P-C4' energy: -77.422
flat angles P-C4'-P energy: -49.689
tors. eta vs tors. theta energy: -108.070
Dist. restrs. and SS energy: 4.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1225.472465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.472465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.595059 (E_RNA)
where:
Base-Base interactions energy: -857.473
where: short stacking energy: -353.831
Base-Backbone interact. energy: -1.324
local terms energy: -371.798298
where:
bonds (distance) C4'-P energy: -69.423
bonds (distance) P-C4' energy: -66.333
flat angles C4'-P-C4' energy: -81.455
flat angles P-C4'-P energy: -52.477
tors. eta vs tors. theta energy: -102.111
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: 3, replica: 10
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1173.799933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.799933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.895757 (E_RNA)
where:
Base-Base interactions energy: -815.591
where: short stacking energy: -336.430
Base-Backbone interact. energy: -0.571
local terms energy: -360.733458
where:
bonds (distance) C4'-P energy: -65.260
bonds (distance) P-C4' energy: -69.181
flat angles C4'-P-C4' energy: -71.397
flat angles P-C4'-P energy: -58.151
tors. eta vs tors. theta energy: -96.746
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: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1111.963740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.963740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.853246 (E_RNA)
where:
Base-Base interactions energy: -785.579
where: short stacking energy: -308.369
Base-Backbone interact. energy: -1.384
local terms energy: -327.890555
where:
bonds (distance) C4'-P energy: -62.337
bonds (distance) P-C4' energy: -62.844
flat angles C4'-P-C4' energy: -68.801
flat angles P-C4'-P energy: -50.132
tors. eta vs tors. theta energy: -83.776
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: 5, replica: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1101.782891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.782891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.384767 (E_RNA)
where:
Base-Base interactions energy: -786.487
where: short stacking energy: -323.643
Base-Backbone interact. energy: -0.529
local terms energy: -315.368346
where:
bonds (distance) C4'-P energy: -60.219
bonds (distance) P-C4' energy: -52.060
flat angles C4'-P-C4' energy: -71.204
flat angles P-C4'-P energy: -47.162
tors. eta vs tors. theta energy: -84.724
Dist. restrs. and SS energy: 0.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1037.076896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.076896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.548191 (E_RNA)
where:
Base-Base interactions energy: -746.070
where: short stacking energy: -305.515
Base-Backbone interact. energy: 4.599
local terms energy: -298.077134
where:
bonds (distance) C4'-P energy: -43.497
bonds (distance) P-C4' energy: -60.611
flat angles C4'-P-C4' energy: -63.249
flat angles P-C4'-P energy: -48.208
tors. eta vs tors. theta energy: -82.512
Dist. restrs. and SS energy: 2.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1021.203111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.203111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.462710 (E_RNA)
where:
Base-Base interactions energy: -718.907
where: short stacking energy: -294.917
Base-Backbone interact. energy: 1.780
local terms energy: -305.335547
where:
bonds (distance) C4'-P energy: -60.394
bonds (distance) P-C4' energy: -69.508
flat angles C4'-P-C4' energy: -60.530
flat angles P-C4'-P energy: -43.965
tors. eta vs tors. theta energy: -70.939
Dist. restrs. and SS energy: 1.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -920.023882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.023882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.071184 (E_RNA)
where:
Base-Base interactions energy: -634.500
where: short stacking energy: -252.148
Base-Backbone interact. energy: -0.725
local terms energy: -292.845812
where:
bonds (distance) C4'-P energy: -56.112
bonds (distance) P-C4' energy: -68.037
flat angles C4'-P-C4' energy: -63.903
flat angles P-C4'-P energy: -44.251
tors. eta vs tors. theta energy: -60.543
Dist. restrs. and SS energy: 8.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -913.081277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.081277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.986057 (E_RNA)
where:
Base-Base interactions energy: -625.740
where: short stacking energy: -238.850
Base-Backbone interact. energy: 0.018
local terms energy: -288.263944
where:
bonds (distance) C4'-P energy: -63.963
bonds (distance) P-C4' energy: -54.862
flat angles C4'-P-C4' energy: -68.205
flat angles P-C4'-P energy: -41.377
tors. eta vs tors. theta energy: -59.856
Dist. restrs. and SS energy: 0.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -901.639179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.639179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.116824 (E_RNA)
where:
Base-Base interactions energy: -625.698
where: short stacking energy: -244.084
Base-Backbone interact. energy: -2.615
local terms energy: -276.804323
where:
bonds (distance) C4'-P energy: -58.663
bonds (distance) P-C4' energy: -46.824
flat angles C4'-P-C4' energy: -64.418
flat angles P-C4'-P energy: -42.861
tors. eta vs tors. theta energy: -64.039
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: 1, replica: 9
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1235.656127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.656127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.699218 (E_RNA)
where:
Base-Base interactions energy: -857.257
where: short stacking energy: -351.478
Base-Backbone interact. energy: 1.182
local terms energy: -383.624128
where:
bonds (distance) C4'-P energy: -71.049
bonds (distance) P-C4' energy: -75.363
flat angles C4'-P-C4' energy: -80.198
flat angles P-C4'-P energy: -61.275
tors. eta vs tors. theta energy: -95.738
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: 2, replica: 8
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1198.374646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.374646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.056654 (E_RNA)
where:
Base-Base interactions energy: -837.249
where: short stacking energy: -346.178
Base-Backbone interact. energy: -0.875
local terms energy: -362.931979
where:
bonds (distance) C4'-P energy: -67.844
bonds (distance) P-C4' energy: -70.750
flat angles C4'-P-C4' energy: -77.854
flat angles P-C4'-P energy: -49.017
tors. eta vs tors. theta energy: -97.467
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: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1157.497509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.497509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.790759 (E_RNA)
where:
Base-Base interactions energy: -790.020
where: short stacking energy: -310.349
Base-Backbone interact. energy: -3.545
local terms energy: -369.226284
where:
bonds (distance) C4'-P energy: -63.444
bonds (distance) P-C4' energy: -70.481
flat angles C4'-P-C4' energy: -81.563
flat angles P-C4'-P energy: -62.084
tors. eta vs tors. theta energy: -91.655
Dist. restrs. and SS energy: 5.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1116.800036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.800036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.151623 (E_RNA)
where:
Base-Base interactions energy: -796.514
where: short stacking energy: -311.572
Base-Backbone interact. energy: -0.612
local terms energy: -324.025827
where:
bonds (distance) C4'-P energy: -52.631
bonds (distance) P-C4' energy: -63.390
flat angles C4'-P-C4' energy: -74.652
flat angles P-C4'-P energy: -48.326
tors. eta vs tors. theta energy: -85.027
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: 5, replica: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1080.780558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.780558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.740494 (E_RNA)
where:
Base-Base interactions energy: -758.124
where: short stacking energy: -302.109
Base-Backbone interact. energy: -1.452
local terms energy: -322.164053
where:
bonds (distance) C4'-P energy: -58.177
bonds (distance) P-C4' energy: -65.049
flat angles C4'-P-C4' energy: -65.660
flat angles P-C4'-P energy: -50.883
tors. eta vs tors. theta energy: -82.395
Dist. restrs. and SS energy: 0.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1030.388507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.388507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.077195 (E_RNA)
where:
Base-Base interactions energy: -713.099
where: short stacking energy: -297.812
Base-Backbone interact. energy: -1.308
local terms energy: -319.670413
where:
bonds (distance) C4'-P energy: -58.214
bonds (distance) P-C4' energy: -66.852
flat angles C4'-P-C4' energy: -72.352
flat angles P-C4'-P energy: -42.610
tors. eta vs tors. theta energy: -79.643
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: 106
Temperature: 1.200000
Total energy: -1035.964352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.964352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.834831 (E_RNA)
where:
Base-Base interactions energy: -725.932
where: short stacking energy: -279.969
Base-Backbone interact. energy: -3.286
local terms energy: -307.617226
where:
bonds (distance) C4'-P energy: -53.270
bonds (distance) P-C4' energy: -63.386
flat angles C4'-P-C4' energy: -56.344
flat angles P-C4'-P energy: -47.825
tors. eta vs tors. theta energy: -86.792
Dist. restrs. and SS energy: 0.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -906.854137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.854137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.270454 (E_RNA)
where:
Base-Base interactions energy: -628.868
where: short stacking energy: -248.345
Base-Backbone interact. energy: -0.624
local terms energy: -279.778208
where:
bonds (distance) C4'-P energy: -63.691
bonds (distance) P-C4' energy: -56.389
flat angles C4'-P-C4' energy: -69.730
flat angles P-C4'-P energy: -37.414
tors. eta vs tors. theta energy: -52.555
Dist. restrs. and SS energy: 2.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -917.681473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.681473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.953460 (E_RNA)
where:
Base-Base interactions energy: -652.382
where: short stacking energy: -268.485
Base-Backbone interact. energy: 1.010
local terms energy: -267.581369
where:
bonds (distance) C4'-P energy: -46.773
bonds (distance) P-C4' energy: -63.360
flat angles C4'-P-C4' energy: -49.018
flat angles P-C4'-P energy: -43.677
tors. eta vs tors. theta energy: -64.754
Dist. restrs. and SS energy: 1.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -879.014413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.014413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.538237 (E_RNA)
where:
Base-Base interactions energy: -625.595
where: short stacking energy: -244.247
Base-Backbone interact. energy: -1.301
local terms energy: -259.642533
where:
bonds (distance) C4'-P energy: -56.920
bonds (distance) P-C4' energy: -45.183
flat angles C4'-P-C4' energy: -64.772
flat angles P-C4'-P energy: -32.130
tors. eta vs tors. theta energy: -60.637
Dist. restrs. and SS energy: 7.524 (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: 9
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1245.424044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.424044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.610605 (E_RNA)
where:
Base-Base interactions energy: -860.886
where: short stacking energy: -345.565
Base-Backbone interact. energy: -5.408
local terms energy: -387.317094
where:
bonds (distance) C4'-P energy: -73.739
bonds (distance) P-C4' energy: -64.329
flat angles C4'-P-C4' energy: -82.367
flat angles P-C4'-P energy: -58.557
tors. eta vs tors. theta energy: -108.325
Dist. restrs. and SS energy: 8.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1205.878446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.878446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.061366 (E_RNA)
where:
Base-Base interactions energy: -835.945
where: short stacking energy: -362.444
Base-Backbone interact. energy: -2.584
local terms energy: -370.532039
where:
bonds (distance) C4'-P energy: -68.346
bonds (distance) P-C4' energy: -75.459
flat angles C4'-P-C4' energy: -77.634
flat angles P-C4'-P energy: -48.797
tors. eta vs tors. theta energy: -100.296
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: 3, replica: 10
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1137.185788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.185788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.471563 (E_RNA)
where:
Base-Base interactions energy: -789.811
where: short stacking energy: -325.800
Base-Backbone interact. energy: -3.964
local terms energy: -346.696960
where:
bonds (distance) C4'-P energy: -56.638
bonds (distance) P-C4' energy: -71.025
flat angles C4'-P-C4' energy: -81.148
flat angles P-C4'-P energy: -47.198
tors. eta vs tors. theta energy: -90.689
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: 5
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1113.785818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.785818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.627255 (E_RNA)
where:
Base-Base interactions energy: -773.432
where: short stacking energy: -306.200
Base-Backbone interact. energy: -2.833
local terms energy: -341.362781
where:
bonds (distance) C4'-P energy: -62.517
bonds (distance) P-C4' energy: -69.141
flat angles C4'-P-C4' energy: -72.315
flat angles P-C4'-P energy: -51.047
tors. eta vs tors. theta energy: -86.343
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: 107
Temperature: 1.100000
Total energy: -1060.720804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.720804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.741529 (E_RNA)
where:
Base-Base interactions energy: -753.557
where: short stacking energy: -296.027
Base-Backbone interact. energy: 0.223
local terms energy: -308.406918
where:
bonds (distance) C4'-P energy: -64.371
bonds (distance) P-C4' energy: -61.667
flat angles C4'-P-C4' energy: -72.191
flat angles P-C4'-P energy: -32.686
tors. eta vs tors. theta energy: -77.492
Dist. restrs. and SS energy: 1.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1023.036124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.036124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.681822 (E_RNA)
where:
Base-Base interactions energy: -711.225
where: short stacking energy: -308.792
Base-Backbone interact. energy: -0.332
local terms energy: -314.124664
where:
bonds (distance) C4'-P energy: -39.532
bonds (distance) P-C4' energy: -65.932
flat angles C4'-P-C4' energy: -81.396
flat angles P-C4'-P energy: -47.372
tors. eta vs tors. theta energy: -79.892
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: 7, replica: 7
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1005.867547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.867547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.186507 (E_RNA)
where:
Base-Base interactions energy: -714.835
where: short stacking energy: -274.622
Base-Backbone interact. energy: -1.845
local terms energy: -293.506789
where:
bonds (distance) C4'-P energy: -57.763
bonds (distance) P-C4' energy: -60.639
flat angles C4'-P-C4' energy: -64.308
flat angles P-C4'-P energy: -40.436
tors. eta vs tors. theta energy: -70.360
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: 8, replica: 6
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -950.625418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.625418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.134964 (E_RNA)
where:
Base-Base interactions energy: -670.629
where: short stacking energy: -242.633
Base-Backbone interact. energy: -3.336
local terms energy: -277.170148
where:
bonds (distance) C4'-P energy: -56.926
bonds (distance) P-C4' energy: -50.490
flat angles C4'-P-C4' energy: -71.184
flat angles P-C4'-P energy: -33.789
tors. eta vs tors. theta energy: -64.781
Dist. restrs. and SS energy: 0.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -857.455800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.455800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.772941 (E_RNA)
where:
Base-Base interactions energy: -601.256
where: short stacking energy: -252.346
Base-Backbone interact. energy: -0.270
local terms energy: -266.247210
where:
bonds (distance) C4'-P energy: -46.252
bonds (distance) P-C4' energy: -59.770
flat angles C4'-P-C4' energy: -64.025
flat angles P-C4'-P energy: -40.756
tors. eta vs tors. theta energy: -55.444
Dist. restrs. and SS energy: 10.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -897.348357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.348357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.873841 (E_RNA)
where:
Base-Base interactions energy: -627.853
where: short stacking energy: -257.583
Base-Backbone interact. energy: -2.090
local terms energy: -271.931234
where:
bonds (distance) C4'-P energy: -62.876
bonds (distance) P-C4' energy: -54.559
flat angles C4'-P-C4' energy: -62.957
flat angles P-C4'-P energy: -31.215
tors. eta vs tors. theta energy: -60.323
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: 1, replica: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1240.648805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.648805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.913395 (E_RNA)
where:
Base-Base interactions energy: -862.753
where: short stacking energy: -364.422
Base-Backbone interact. energy: -4.242
local terms energy: -377.917953
where:
bonds (distance) C4'-P energy: -74.444
bonds (distance) P-C4' energy: -62.536
flat angles C4'-P-C4' energy: -79.574
flat angles P-C4'-P energy: -54.276
tors. eta vs tors. theta energy: -107.087
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: 2, replica: 8
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1209.287353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.287353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.820215 (E_RNA)
where:
Base-Base interactions energy: -830.357
where: short stacking energy: -349.063
Base-Backbone interact. energy: -1.282
local terms energy: -380.181848
where:
bonds (distance) C4'-P energy: -70.571
bonds (distance) P-C4' energy: -73.991
flat angles C4'-P-C4' energy: -76.792
flat angles P-C4'-P energy: -57.629
tors. eta vs tors. theta energy: -101.199
Dist. restrs. and SS energy: 2.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1143.137626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.137626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.664559 (E_RNA)
where:
Base-Base interactions energy: -830.240
where: short stacking energy: -327.262
Base-Backbone interact. energy: -1.781
local terms energy: -314.644312
where:
bonds (distance) C4'-P energy: -57.512
bonds (distance) P-C4' energy: -69.203
flat angles C4'-P-C4' energy: -68.196
flat angles P-C4'-P energy: -38.097
tors. eta vs tors. theta energy: -81.636
Dist. restrs. and SS energy: 3.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1100.463389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.463389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.454581 (E_RNA)
where:
Base-Base interactions energy: -768.383
where: short stacking energy: -296.457
Base-Backbone interact. energy: -3.613
local terms energy: -331.459276
where:
bonds (distance) C4'-P energy: -63.527
bonds (distance) P-C4' energy: -68.610
flat angles C4'-P-C4' energy: -68.784
flat angles P-C4'-P energy: -50.963
tors. eta vs tors. theta energy: -79.575
Dist. restrs. and SS energy: 2.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1057.018987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.018987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.676564 (E_RNA)
where:
Base-Base interactions energy: -730.940
where: short stacking energy: -289.205
Base-Backbone interact. energy: 3.853
local terms energy: -330.588658
where:
bonds (distance) C4'-P energy: -67.798
bonds (distance) P-C4' energy: -65.336
flat angles C4'-P-C4' energy: -80.374
flat angles P-C4'-P energy: -39.833
tors. eta vs tors. theta energy: -77.247
Dist. restrs. and SS energy: 0.658 (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: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1034.715689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.715689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.069610 (E_RNA)
where:
Base-Base interactions energy: -742.443
where: short stacking energy: -314.798
Base-Backbone interact. energy: -1.336
local terms energy: -294.290076
where:
bonds (distance) C4'-P energy: -49.608
bonds (distance) P-C4' energy: -65.277
flat angles C4'-P-C4' energy: -56.938
flat angles P-C4'-P energy: -40.981
tors. eta vs tors. theta energy: -81.487
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: 7, replica: 7
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -997.154360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.154360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.499390 (E_RNA)
where:
Base-Base interactions energy: -704.010
where: short stacking energy: -291.323
Base-Backbone interact. energy: 0.232
local terms energy: -295.721004
where:
bonds (distance) C4'-P energy: -48.886
bonds (distance) P-C4' energy: -56.885
flat angles C4'-P-C4' energy: -68.472
flat angles P-C4'-P energy: -43.436
tors. eta vs tors. theta energy: -78.043
Dist. restrs. and SS energy: 2.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -978.581182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.581182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.638702 (E_RNA)
where:
Base-Base interactions energy: -681.923
where: short stacking energy: -276.870
Base-Backbone interact. energy: -0.994
local terms energy: -296.721821
where:
bonds (distance) C4'-P energy: -60.593
bonds (distance) P-C4' energy: -50.759
flat angles C4'-P-C4' energy: -76.225
flat angles P-C4'-P energy: -38.944
tors. eta vs tors. theta energy: -70.201
Dist. restrs. and SS energy: 1.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -885.215419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.215419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.562021 (E_RNA)
where:
Base-Base interactions energy: -637.312
where: short stacking energy: -250.801
Base-Backbone interact. energy: 0.305
local terms energy: -251.555145
where:
bonds (distance) C4'-P energy: -52.923
bonds (distance) P-C4' energy: -45.777
flat angles C4'-P-C4' energy: -65.182
flat angles P-C4'-P energy: -30.456
tors. eta vs tors. theta energy: -57.217
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: 10, replica: 2
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -843.065196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.065196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.403663 (E_RNA)
where:
Base-Base interactions energy: -583.102
where: short stacking energy: -238.041
Base-Backbone interact. energy: -0.372
local terms energy: -266.930326
where:
bonds (distance) C4'-P energy: -44.383
bonds (distance) P-C4' energy: -69.336
flat angles C4'-P-C4' energy: -65.132
flat angles P-C4'-P energy: -37.759
tors. eta vs tors. theta energy: -50.321
Dist. restrs. and SS energy: 7.338 (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: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1271.214364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.214364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.697757 (E_RNA)
where:
Base-Base interactions energy: -891.994
where: short stacking energy: -373.293
Base-Backbone interact. energy: -0.958
local terms energy: -382.746445
where:
bonds (distance) C4'-P energy: -71.032
bonds (distance) P-C4' energy: -71.126
flat angles C4'-P-C4' energy: -75.522
flat angles P-C4'-P energy: -55.361
tors. eta vs tors. theta energy: -109.705
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: 2, replica: 8
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1227.166537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.166537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.492092 (E_RNA)
where:
Base-Base interactions energy: -844.362
where: short stacking energy: -360.711
Base-Backbone interact. energy: 0.167
local terms energy: -386.297480
where:
bonds (distance) C4'-P energy: -70.726
bonds (distance) P-C4' energy: -79.906
flat angles C4'-P-C4' energy: -85.024
flat angles P-C4'-P energy: -50.828
tors. eta vs tors. theta energy: -99.813
Dist. restrs. and SS energy: 3.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1160.918528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.918528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.220677 (E_RNA)
where:
Base-Base interactions energy: -814.209
where: short stacking energy: -329.123
Base-Backbone interact. energy: -2.036
local terms energy: -347.975843
where:
bonds (distance) C4'-P energy: -65.749
bonds (distance) P-C4' energy: -69.694
flat angles C4'-P-C4' energy: -70.954
flat angles P-C4'-P energy: -49.116
tors. eta vs tors. theta energy: -92.464
Dist. restrs. and SS energy: 3.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1113.798708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.798708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.977498 (E_RNA)
where:
Base-Base interactions energy: -779.637
where: short stacking energy: -308.932
Base-Backbone interact. energy: 2.024
local terms energy: -337.363891
where:
bonds (distance) C4'-P energy: -64.983
bonds (distance) P-C4' energy: -74.957
flat angles C4'-P-C4' energy: -75.804
flat angles P-C4'-P energy: -40.646
tors. eta vs tors. theta energy: -80.973
Dist. restrs. and SS energy: 1.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1071.778930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.778930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.934287 (E_RNA)
where:
Base-Base interactions energy: -754.627
where: short stacking energy: -307.663
Base-Backbone interact. energy: -0.539
local terms energy: -320.768201
where:
bonds (distance) C4'-P energy: -64.054
bonds (distance) P-C4' energy: -67.252
flat angles C4'-P-C4' energy: -64.122
flat angles P-C4'-P energy: -37.304
tors. eta vs tors. theta energy: -88.036
Dist. restrs. and SS energy: 4.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1088.041704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.041704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.668296 (E_RNA)
where:
Base-Base interactions energy: -738.519
where: short stacking energy: -310.596
Base-Backbone interact. energy: -3.146
local terms energy: -352.003837
where:
bonds (distance) C4'-P energy: -65.032
bonds (distance) P-C4' energy: -67.454
flat angles C4'-P-C4' energy: -73.234
flat angles P-C4'-P energy: -45.142
tors. eta vs tors. theta energy: -101.142
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: 7, replica: 7
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1019.567572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.567572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.943323 (E_RNA)
where:
Base-Base interactions energy: -700.651
where: short stacking energy: -276.892
Base-Backbone interact. energy: -2.644
local terms energy: -317.648128
where:
bonds (distance) C4'-P energy: -62.909
bonds (distance) P-C4' energy: -60.954
flat angles C4'-P-C4' energy: -69.534
flat angles P-C4'-P energy: -48.495
tors. eta vs tors. theta energy: -75.755
Dist. restrs. and SS energy: 1.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -960.823760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.823760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.657335 (E_RNA)
where:
Base-Base interactions energy: -676.359
where: short stacking energy: -269.232
Base-Backbone interact. energy: -0.206
local terms energy: -288.092243
where:
bonds (distance) C4'-P energy: -65.744
bonds (distance) P-C4' energy: -57.120
flat angles C4'-P-C4' energy: -59.935
flat angles P-C4'-P energy: -39.961
tors. eta vs tors. theta energy: -65.332
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: 9, replica: 1
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -916.136088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.136088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.522226 (E_RNA)
where:
Base-Base interactions energy: -619.649
where: short stacking energy: -242.111
Base-Backbone interact. energy: 0.881
local terms energy: -299.755142
where:
bonds (distance) C4'-P energy: -57.491
bonds (distance) P-C4' energy: -71.717
flat angles C4'-P-C4' energy: -63.854
flat angles P-C4'-P energy: -43.165
tors. eta vs tors. theta energy: -63.528
Dist. restrs. and SS energy: 2.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -835.713606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.713606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.721561 (E_RNA)
where:
Base-Base interactions energy: -570.005
where: short stacking energy: -240.381
Base-Backbone interact. energy: -2.418
local terms energy: -270.298862
where:
bonds (distance) C4'-P energy: -54.657
bonds (distance) P-C4' energy: -52.134
flat angles C4'-P-C4' energy: -58.193
flat angles P-C4'-P energy: -38.715
tors. eta vs tors. theta energy: -66.599
Dist. restrs. and SS energy: 7.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1261.594072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.594072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.731344 (E_RNA)
where:
Base-Base interactions energy: -863.432
where: short stacking energy: -362.247
Base-Backbone interact. energy: -3.079
local terms energy: -400.220821
where:
bonds (distance) C4'-P energy: -76.528
bonds (distance) P-C4' energy: -75.669
flat angles C4'-P-C4' energy: -81.671
flat angles P-C4'-P energy: -62.741
tors. eta vs tors. theta energy: -103.611
Dist. restrs. and SS energy: 5.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1213.256453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.256453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.758934 (E_RNA)
where:
Base-Base interactions energy: -864.748
where: short stacking energy: -355.743
Base-Backbone interact. energy: -0.668
local terms energy: -352.342315
where:
bonds (distance) C4'-P energy: -60.372
bonds (distance) P-C4' energy: -68.027
flat angles C4'-P-C4' energy: -74.476
flat angles P-C4'-P energy: -47.963
tors. eta vs tors. theta energy: -101.504
Dist. restrs. and SS energy: 4.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1151.928667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.928667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.845172 (E_RNA)
where:
Base-Base interactions energy: -793.906
where: short stacking energy: -317.085
Base-Backbone interact. energy: -3.078
local terms energy: -356.861564
where:
bonds (distance) C4'-P energy: -63.948
bonds (distance) P-C4' energy: -65.681
flat angles C4'-P-C4' energy: -80.751
flat angles P-C4'-P energy: -50.612
tors. eta vs tors. theta energy: -95.869
Dist. restrs. and SS energy: 1.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1127.663208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.663208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.067813 (E_RNA)
where:
Base-Base interactions energy: -787.172
where: short stacking energy: -317.471
Base-Backbone interact. energy: 0.476
local terms energy: -345.371795
where:
bonds (distance) C4'-P energy: -72.348
bonds (distance) P-C4' energy: -71.639
flat angles C4'-P-C4' energy: -69.192
flat angles P-C4'-P energy: -46.477
tors. eta vs tors. theta energy: -85.716
Dist. restrs. and SS energy: 4.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1096.049977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.049977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.124666 (E_RNA)
where:
Base-Base interactions energy: -767.615
where: short stacking energy: -329.276
Base-Backbone interact. energy: -1.806
local terms energy: -328.703976
where:
bonds (distance) C4'-P energy: -55.759
bonds (distance) P-C4' energy: -65.423
flat angles C4'-P-C4' energy: -75.408
flat angles P-C4'-P energy: -49.547
tors. eta vs tors. theta energy: -82.568
Dist. restrs. and SS energy: 2.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1042.329886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.329886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.645198 (E_RNA)
where:
Base-Base interactions energy: -724.348
where: short stacking energy: -287.745
Base-Backbone interact. energy: -3.576
local terms energy: -317.720959
where:
bonds (distance) C4'-P energy: -63.199
bonds (distance) P-C4' energy: -51.350
flat angles C4'-P-C4' energy: -77.208
flat angles P-C4'-P energy: -52.188
tors. eta vs tors. theta energy: -73.776
Dist. restrs. and SS energy: 3.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -991.878271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.878271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.311037 (E_RNA)
where:
Base-Base interactions energy: -693.762
where: short stacking energy: -272.709
Base-Backbone interact. energy: 1.131
local terms energy: -302.679760
where:
bonds (distance) C4'-P energy: -64.277
bonds (distance) P-C4' energy: -57.218
flat angles C4'-P-C4' energy: -72.443
flat angles P-C4'-P energy: -37.620
tors. eta vs tors. theta energy: -71.122
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: 8, replica: 7
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -989.600279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.600279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.630046 (E_RNA)
where:
Base-Base interactions energy: -691.384
where: short stacking energy: -268.213
Base-Backbone interact. energy: 0.488
local terms energy: -300.733240
where:
bonds (distance) C4'-P energy: -66.095
bonds (distance) P-C4' energy: -58.119
flat angles C4'-P-C4' energy: -53.951
flat angles P-C4'-P energy: -45.135
tors. eta vs tors. theta energy: -77.433
Dist. restrs. and SS energy: 2.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -939.856379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.856379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.982846 (E_RNA)
where:
Base-Base interactions energy: -666.970
where: short stacking energy: -260.316
Base-Backbone interact. energy: 0.687
local terms energy: -279.699902
where:
bonds (distance) C4'-P energy: -51.470
bonds (distance) P-C4' energy: -56.592
flat angles C4'-P-C4' energy: -64.465
flat angles P-C4'-P energy: -36.776
tors. eta vs tors. theta energy: -70.397
Dist. restrs. and SS energy: 6.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -812.496352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.496352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.831664 (E_RNA)
where:
Base-Base interactions energy: -563.247
where: short stacking energy: -227.810
Base-Backbone interact. energy: 0.407
local terms energy: -258.990957
where:
bonds (distance) C4'-P energy: -52.669
bonds (distance) P-C4' energy: -48.371
flat angles C4'-P-C4' energy: -54.265
flat angles P-C4'-P energy: -40.210
tors. eta vs tors. theta energy: -63.476
Dist. restrs. and SS energy: 9.335 (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: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1259.312754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.312754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.017026 (E_RNA)
where:
Base-Base interactions energy: -872.899
where: short stacking energy: -367.403
Base-Backbone interact. energy: -1.137
local terms energy: -390.981133
where:
bonds (distance) C4'-P energy: -66.031
bonds (distance) P-C4' energy: -74.024
flat angles C4'-P-C4' energy: -78.512
flat angles P-C4'-P energy: -64.924
tors. eta vs tors. theta energy: -107.491
Dist. restrs. and SS energy: 5.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1214.570118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.570118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.468106 (E_RNA)
where:
Base-Base interactions energy: -841.469
where: short stacking energy: -354.586
Base-Backbone interact. energy: -0.483
local terms energy: -375.516307
where:
bonds (distance) C4'-P energy: -67.113
bonds (distance) P-C4' energy: -70.567
flat angles C4'-P-C4' energy: -81.527
flat angles P-C4'-P energy: -55.139
tors. eta vs tors. theta energy: -101.171
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: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1161.574455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.574455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.417393 (E_RNA)
where:
Base-Base interactions energy: -806.112
where: short stacking energy: -344.584
Base-Backbone interact. energy: -0.800
local terms energy: -356.505818
where:
bonds (distance) C4'-P energy: -65.781
bonds (distance) P-C4' energy: -67.540
flat angles C4'-P-C4' energy: -75.707
flat angles P-C4'-P energy: -43.789
tors. eta vs tors. theta energy: -103.689
Dist. restrs. and SS energy: 1.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1129.669621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.669621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.468707 (E_RNA)
where:
Base-Base interactions energy: -789.473
where: short stacking energy: -322.918
Base-Backbone interact. energy: -0.129
local terms energy: -341.866938
where:
bonds (distance) C4'-P energy: -63.985
bonds (distance) P-C4' energy: -60.842
flat angles C4'-P-C4' energy: -71.592
flat angles P-C4'-P energy: -48.546
tors. eta vs tors. theta energy: -96.902
Dist. restrs. and SS energy: 1.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1090.740533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.740533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.128068 (E_RNA)
where:
Base-Base interactions energy: -752.119
where: short stacking energy: -300.871
Base-Backbone interact. energy: 3.096
local terms energy: -345.105549
where:
bonds (distance) C4'-P energy: -67.115
bonds (distance) P-C4' energy: -68.831
flat angles C4'-P-C4' energy: -78.782
flat angles P-C4'-P energy: -46.535
tors. eta vs tors. theta energy: -83.842
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: 6, replica: 6
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -988.407956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.407956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.992664 (E_RNA)
where:
Base-Base interactions energy: -711.070
where: short stacking energy: -273.627
Base-Backbone interact. energy: 2.726
local terms energy: -282.648742
where:
bonds (distance) C4'-P energy: -54.997
bonds (distance) P-C4' energy: -63.025
flat angles C4'-P-C4' energy: -62.847
flat angles P-C4'-P energy: -34.428
tors. eta vs tors. theta energy: -67.351
Dist. restrs. and SS energy: 2.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1010.246603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.246603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.563128 (E_RNA)
where:
Base-Base interactions energy: -700.956
where: short stacking energy: -282.222
Base-Backbone interact. energy: -0.552
local terms energy: -310.054370
where:
bonds (distance) C4'-P energy: -58.099
bonds (distance) P-C4' energy: -59.483
flat angles C4'-P-C4' energy: -68.259
flat angles P-C4'-P energy: -48.557
tors. eta vs tors. theta energy: -75.656
Dist. restrs. and SS energy: 1.317 (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: 7
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -988.600857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.600857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.805202 (E_RNA)
where:
Base-Base interactions energy: -711.517
where: short stacking energy: -282.876
Base-Backbone interact. energy: -0.670
local terms energy: -279.618112
where:
bonds (distance) C4'-P energy: -53.495
bonds (distance) P-C4' energy: -55.090
flat angles C4'-P-C4' energy: -61.357
flat angles P-C4'-P energy: -42.800
tors. eta vs tors. theta energy: -66.877
Dist. restrs. and SS energy: 3.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -934.865212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.865212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.321401 (E_RNA)
where:
Base-Base interactions energy: -671.671
where: short stacking energy: -282.002
Base-Backbone interact. energy: -0.264
local terms energy: -269.386904
where:
bonds (distance) C4'-P energy: -59.247
bonds (distance) P-C4' energy: -44.501
flat angles C4'-P-C4' energy: -61.781
flat angles P-C4'-P energy: -35.623
tors. eta vs tors. theta energy: -68.234
Dist. restrs. and SS energy: 6.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -864.891221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.891221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.038815 (E_RNA)
where:
Base-Base interactions energy: -614.350
where: short stacking energy: -248.050
Base-Backbone interact. energy: -0.789
local terms energy: -258.899605
where:
bonds (distance) C4'-P energy: -53.289
bonds (distance) P-C4' energy: -53.810
flat angles C4'-P-C4' energy: -53.200
flat angles P-C4'-P energy: -45.572
tors. eta vs tors. theta energy: -53.029
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: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1261.203668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.203668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.290584 (E_RNA)
where:
Base-Base interactions energy: -882.199
where: short stacking energy: -360.452
Base-Backbone interact. energy: 5.559
local terms energy: -390.650259
where:
bonds (distance) C4'-P energy: -71.219
bonds (distance) P-C4' energy: -77.912
flat angles C4'-P-C4' energy: -84.067
flat angles P-C4'-P energy: -56.415
tors. eta vs tors. theta energy: -101.037
Dist. restrs. and SS energy: 6.087 (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: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1206.203650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.203650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.229467 (E_RNA)
where:
Base-Base interactions energy: -835.535
where: short stacking energy: -336.988
Base-Backbone interact. energy: -0.749
local terms energy: -373.945034
where:
bonds (distance) C4'-P energy: -71.129
bonds (distance) P-C4' energy: -75.907
flat angles C4'-P-C4' energy: -76.353
flat angles P-C4'-P energy: -54.367
tors. eta vs tors. theta energy: -96.190
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: 3, replica: 5
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1149.734566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.734566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.261873 (E_RNA)
where:
Base-Base interactions energy: -785.965
where: short stacking energy: -316.248
Base-Backbone interact. energy: -3.888
local terms energy: -361.408598
where:
bonds (distance) C4'-P energy: -76.809
bonds (distance) P-C4' energy: -70.435
flat angles C4'-P-C4' energy: -78.307
flat angles P-C4'-P energy: -43.299
tors. eta vs tors. theta energy: -92.558
Dist. restrs. and SS energy: 1.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1137.805219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.805219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.994550 (E_RNA)
where:
Base-Base interactions energy: -805.189
where: short stacking energy: -328.868
Base-Backbone interact. energy: -2.164
local terms energy: -336.640937
where:
bonds (distance) C4'-P energy: -58.266
bonds (distance) P-C4' energy: -66.895
flat angles C4'-P-C4' energy: -74.022
flat angles P-C4'-P energy: -45.795
tors. eta vs tors. theta energy: -91.662
Dist. restrs. and SS energy: 6.189 (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: 10
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1087.892553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.892553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.061204 (E_RNA)
where:
Base-Base interactions energy: -772.225
where: short stacking energy: -319.034
Base-Backbone interact. energy: -2.051
local terms energy: -318.785293
where:
bonds (distance) C4'-P energy: -48.950
bonds (distance) P-C4' energy: -63.227
flat angles C4'-P-C4' energy: -68.344
flat angles P-C4'-P energy: -43.564
tors. eta vs tors. theta energy: -94.701
Dist. restrs. and SS energy: 5.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1045.323988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.323988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.426119 (E_RNA)
where:
Base-Base interactions energy: -728.313
where: short stacking energy: -296.487
Base-Backbone interact. energy: 1.900
local terms energy: -323.012995
where:
bonds (distance) C4'-P energy: -61.329
bonds (distance) P-C4' energy: -66.619
flat angles C4'-P-C4' energy: -71.612
flat angles P-C4'-P energy: -50.669
tors. eta vs tors. theta energy: -72.785
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: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1032.470391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.470391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.725430 (E_RNA)
where:
Base-Base interactions energy: -742.608
where: short stacking energy: -297.479
Base-Backbone interact. energy: -1.623
local terms energy: -292.494843
where:
bonds (distance) C4'-P energy: -41.903
bonds (distance) P-C4' energy: -58.844
flat angles C4'-P-C4' energy: -68.340
flat angles P-C4'-P energy: -37.054
tors. eta vs tors. theta energy: -86.355
Dist. restrs. and SS energy: 4.255 (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: 3
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -995.984031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.984031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.581191 (E_RNA)
where:
Base-Base interactions energy: -681.763
where: short stacking energy: -268.951
Base-Backbone interact. energy: -2.080
local terms energy: -313.738162
where:
bonds (distance) C4'-P energy: -52.496
bonds (distance) P-C4' energy: -69.632
flat angles C4'-P-C4' energy: -68.576
flat angles P-C4'-P energy: -45.597
tors. eta vs tors. theta energy: -77.438
Dist. restrs. and SS energy: 1.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -934.148578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.148578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.254047 (E_RNA)
where:
Base-Base interactions energy: -659.972
where: short stacking energy: -277.671
Base-Backbone interact. energy: -1.087
local terms energy: -274.195815
where:
bonds (distance) C4'-P energy: -51.118
bonds (distance) P-C4' energy: -49.682
flat angles C4'-P-C4' energy: -63.017
flat angles P-C4'-P energy: -43.474
tors. eta vs tors. theta energy: -66.904
Dist. restrs. and SS energy: 1.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -846.677798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.677798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.539895 (E_RNA)
where:
Base-Base interactions energy: -609.939
where: short stacking energy: -238.621
Base-Backbone interact. energy: 7.932
local terms energy: -255.532552
where:
bonds (distance) C4'-P energy: -52.019
bonds (distance) P-C4' energy: -58.512
flat angles C4'-P-C4' energy: -66.571
flat angles P-C4'-P energy: -27.917
tors. eta vs tors. theta energy: -50.513
Dist. restrs. and SS energy: 10.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1243.702132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.702132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.056473 (E_RNA)
where:
Base-Base interactions energy: -860.130
where: short stacking energy: -373.692
Base-Backbone interact. energy: -0.994
local terms energy: -387.932144
where:
bonds (distance) C4'-P energy: -64.564
bonds (distance) P-C4' energy: -77.721
flat angles C4'-P-C4' energy: -78.764
flat angles P-C4'-P energy: -57.096
tors. eta vs tors. theta energy: -109.787
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: 2, replica: 5
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1185.725520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.725520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.127709 (E_RNA)
where:
Base-Base interactions energy: -829.533
where: short stacking energy: -347.383
Base-Backbone interact. energy: -0.845
local terms energy: -358.749966
where:
bonds (distance) C4'-P energy: -59.166
bonds (distance) P-C4' energy: -69.956
flat angles C4'-P-C4' energy: -80.543
flat angles P-C4'-P energy: -47.193
tors. eta vs tors. theta energy: -101.892
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: 3, replica: 8
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1165.071212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.071212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.800069 (E_RNA)
where:
Base-Base interactions energy: -812.427
where: short stacking energy: -334.129
Base-Backbone interact. energy: -0.772
local terms energy: -354.600614
where:
bonds (distance) C4'-P energy: -69.674
bonds (distance) P-C4' energy: -67.817
flat angles C4'-P-C4' energy: -78.960
flat angles P-C4'-P energy: -46.275
tors. eta vs tors. theta energy: -91.874
Dist. restrs. and SS energy: 2.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1135.700544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.700544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.866244 (E_RNA)
where:
Base-Base interactions energy: -792.465
where: short stacking energy: -326.940
Base-Backbone interact. energy: -1.942
local terms energy: -342.458559
where:
bonds (distance) C4'-P energy: -63.651
bonds (distance) P-C4' energy: -58.985
flat angles C4'-P-C4' energy: -70.255
flat angles P-C4'-P energy: -54.686
tors. eta vs tors. theta energy: -94.881
Dist. restrs. and SS energy: 1.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1058.327338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.327338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.070291 (E_RNA)
where:
Base-Base interactions energy: -727.778
where: short stacking energy: -296.699
Base-Backbone interact. energy: -2.300
local terms energy: -338.992389
where:
bonds (distance) C4'-P energy: -59.401
bonds (distance) P-C4' energy: -67.509
flat angles C4'-P-C4' energy: -76.714
flat angles P-C4'-P energy: -47.352
tors. eta vs tors. theta energy: -88.016
Dist. restrs. and SS energy: 10.743 (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: 6
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1023.782909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.782909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.337168 (E_RNA)
where:
Base-Base interactions energy: -700.919
where: short stacking energy: -264.788
Base-Backbone interact. energy: -0.854
local terms energy: -325.564035
where:
bonds (distance) C4'-P energy: -66.105
bonds (distance) P-C4' energy: -65.581
flat angles C4'-P-C4' energy: -74.228
flat angles P-C4'-P energy: -46.197
tors. eta vs tors. theta energy: -73.453
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: 7
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1022.497043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.497043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.569316 (E_RNA)
where:
Base-Base interactions energy: -704.981
where: short stacking energy: -288.413
Base-Backbone interact. energy: -1.629
local terms energy: -320.959186
where:
bonds (distance) C4'-P energy: -63.589
bonds (distance) P-C4' energy: -61.657
flat angles C4'-P-C4' energy: -73.218
flat angles P-C4'-P energy: -42.348
tors. eta vs tors. theta energy: -80.148
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: 8, replica: 3
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -976.490356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.490356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.108909 (E_RNA)
where:
Base-Base interactions energy: -668.752
where: short stacking energy: -269.354
Base-Backbone interact. energy: -0.964
local terms energy: -309.393167
where:
bonds (distance) C4'-P energy: -57.848
bonds (distance) P-C4' energy: -63.316
flat angles C4'-P-C4' energy: -65.492
flat angles P-C4'-P energy: -49.389
tors. eta vs tors. theta energy: -73.348
Dist. restrs. and SS energy: 2.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -935.372017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.372017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.797143 (E_RNA)
where:
Base-Base interactions energy: -642.595
where: short stacking energy: -256.218
Base-Backbone interact. energy: -0.253
local terms energy: -298.948770
where:
bonds (distance) C4'-P energy: -57.909
bonds (distance) P-C4' energy: -57.297
flat angles C4'-P-C4' energy: -65.120
flat angles P-C4'-P energy: -48.935
tors. eta vs tors. theta energy: -69.688
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: 10, replica: 2
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -858.623879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.623879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.868342 (E_RNA)
where:
Base-Base interactions energy: -605.028
where: short stacking energy: -244.309
Base-Backbone interact. energy: 7.696
local terms energy: -266.536177
where:
bonds (distance) C4'-P energy: -54.932
bonds (distance) P-C4' energy: -62.355
flat angles C4'-P-C4' energy: -63.224
flat angles P-C4'-P energy: -29.463
tors. eta vs tors. theta energy: -56.562
Dist. restrs. and SS energy: 5.244 (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: 5
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1238.363689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.363689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.547877 (E_RNA)
where:
Base-Base interactions energy: -866.343
where: short stacking energy: -360.716
Base-Backbone interact. energy: -2.860
local terms energy: -373.344554
where:
bonds (distance) C4'-P energy: -76.388
bonds (distance) P-C4' energy: -61.045
flat angles C4'-P-C4' energy: -79.280
flat angles P-C4'-P energy: -54.516
tors. eta vs tors. theta energy: -102.116
Dist. restrs. and SS energy: 4.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1235.384902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.384902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.888693 (E_RNA)
where:
Base-Base interactions energy: -852.245
where: short stacking energy: -366.528
Base-Backbone interact. energy: -1.076
local terms energy: -389.567625
where:
bonds (distance) C4'-P energy: -82.632
bonds (distance) P-C4' energy: -70.156
flat angles C4'-P-C4' energy: -77.250
flat angles P-C4'-P energy: -49.486
tors. eta vs tors. theta energy: -110.043
Dist. restrs. and SS energy: 7.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1157.845934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.845934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.075223 (E_RNA)
where:
Base-Base interactions energy: -799.921
where: short stacking energy: -308.935
Base-Backbone interact. energy: -1.500
local terms energy: -359.654830
where:
bonds (distance) C4'-P energy: -67.145
bonds (distance) P-C4' energy: -63.627
flat angles C4'-P-C4' energy: -78.065
flat angles P-C4'-P energy: -55.627
tors. eta vs tors. theta energy: -95.190
Dist. restrs. and SS energy: 3.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1140.050579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.050579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.430973 (E_RNA)
where:
Base-Base interactions energy: -796.982
where: short stacking energy: -332.003
Base-Backbone interact. energy: 1.310
local terms energy: -347.759052
where:
bonds (distance) C4'-P energy: -62.337
bonds (distance) P-C4' energy: -68.897
flat angles C4'-P-C4' energy: -69.432
flat angles P-C4'-P energy: -49.433
tors. eta vs tors. theta energy: -97.661
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: 5, replica: 10
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1073.317525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.317525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.308331 (E_RNA)
where:
Base-Base interactions energy: -735.743
where: short stacking energy: -284.218
Base-Backbone interact. energy: -0.965
local terms energy: -339.600734
where:
bonds (distance) C4'-P energy: -70.547
bonds (distance) P-C4' energy: -59.986
flat angles C4'-P-C4' energy: -71.444
flat angles P-C4'-P energy: -56.023
tors. eta vs tors. theta energy: -81.602
Dist. restrs. and SS energy: 2.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1040.873796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.873796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.014814 (E_RNA)
where:
Base-Base interactions energy: -727.581
where: short stacking energy: -284.586
Base-Backbone interact. energy: -3.232
local terms energy: -314.201856
where:
bonds (distance) C4'-P energy: -69.426
bonds (distance) P-C4' energy: -59.440
flat angles C4'-P-C4' energy: -64.318
flat angles P-C4'-P energy: -43.573
tors. eta vs tors. theta energy: -77.445
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: 7, replica: 7
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1017.428954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.428954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.628285 (E_RNA)
where:
Base-Base interactions energy: -715.784
where: short stacking energy: -306.099
Base-Backbone interact. energy: -0.313
local terms energy: -305.531451
where:
bonds (distance) C4'-P energy: -55.485
bonds (distance) P-C4' energy: -57.792
flat angles C4'-P-C4' energy: -67.432
flat angles P-C4'-P energy: -48.452
tors. eta vs tors. theta energy: -76.371
Dist. restrs. and SS energy: 4.199 (S_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: 114
Temperature: 1.250000
Total energy: -956.696478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.696478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.951849 (E_RNA)
where:
Base-Base interactions energy: -666.928
where: short stacking energy: -258.594
Base-Backbone interact. energy: 0.340
local terms energy: -291.363711
where:
bonds (distance) C4'-P energy: -60.735
bonds (distance) P-C4' energy: -62.563
flat angles C4'-P-C4' energy: -64.599
flat angles P-C4'-P energy: -30.621
tors. eta vs tors. theta energy: -72.847
Dist. restrs. and SS energy: 1.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -943.814796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.814796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.845822 (E_RNA)
where:
Base-Base interactions energy: -661.584
where: short stacking energy: -259.805
Base-Backbone interact. energy: -1.087
local terms energy: -285.174881
where:
bonds (distance) C4'-P energy: -61.497
bonds (distance) P-C4' energy: -45.359
flat angles C4'-P-C4' energy: -75.372
flat angles P-C4'-P energy: -46.926
tors. eta vs tors. theta energy: -56.021
Dist. restrs. and SS energy: 4.031 (S_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: 114
Temperature: 1.350000
Total energy: -807.259576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.259576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.449089 (E_RNA)
where:
Base-Base interactions energy: -573.147
where: short stacking energy: -226.653
Base-Backbone interact. energy: -1.534
local terms energy: -240.767817
where:
bonds (distance) C4'-P energy: -43.900
bonds (distance) P-C4' energy: -56.973
flat angles C4'-P-C4' energy: -56.273
flat angles P-C4'-P energy: -27.813
tors. eta vs tors. theta energy: -55.808
Dist. restrs. and SS energy: 8.190 (S_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: 115
Temperature: 0.900000
Total energy: -1225.864227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.864227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.228106 (E_RNA)
where:
Base-Base interactions energy: -855.640
where: short stacking energy: -356.655
Base-Backbone interact. energy: 2.179
local terms energy: -373.767467
where:
bonds (distance) C4'-P energy: -70.417
bonds (distance) P-C4' energy: -76.805
flat angles C4'-P-C4' energy: -76.924
flat angles P-C4'-P energy: -47.493
tors. eta vs tors. theta energy: -102.129
Dist. restrs. and SS energy: 1.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1221.065646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.065646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.461100 (E_RNA)
where:
Base-Base interactions energy: -842.647
where: short stacking energy: -366.912
Base-Backbone interact. energy: 1.058
local terms energy: -385.871476
where:
bonds (distance) C4'-P energy: -68.168
bonds (distance) P-C4' energy: -74.671
flat angles C4'-P-C4' energy: -81.584
flat angles P-C4'-P energy: -57.890
tors. eta vs tors. theta energy: -103.559
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: 3, replica: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1165.118426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.118426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.093421 (E_RNA)
where:
Base-Base interactions energy: -816.179
where: short stacking energy: -337.238
Base-Backbone interact. energy: -1.692
local terms energy: -352.222538
where:
bonds (distance) C4'-P energy: -64.175
bonds (distance) P-C4' energy: -67.074
flat angles C4'-P-C4' energy: -63.817
flat angles P-C4'-P energy: -60.055
tors. eta vs tors. theta energy: -97.101
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: 4, replica: 8
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1153.204556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.204556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.085384 (E_RNA)
where:
Base-Base interactions energy: -806.120
where: short stacking energy: -330.646
Base-Backbone interact. energy: -2.073
local terms energy: -348.892166
where:
bonds (distance) C4'-P energy: -61.300
bonds (distance) P-C4' energy: -64.801
flat angles C4'-P-C4' energy: -73.989
flat angles P-C4'-P energy: -43.298
tors. eta vs tors. theta energy: -105.504
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: 5, replica: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1081.854924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.854924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.575751 (E_RNA)
where:
Base-Base interactions energy: -762.247
where: short stacking energy: -304.288
Base-Backbone interact. energy: 0.119
local terms energy: -323.447735
where:
bonds (distance) C4'-P energy: -71.666
bonds (distance) P-C4' energy: -62.448
flat angles C4'-P-C4' energy: -63.549
flat angles P-C4'-P energy: -43.345
tors. eta vs tors. theta energy: -82.439
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: 6, replica: 7
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1009.340319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.340319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.146196 (E_RNA)
where:
Base-Base interactions energy: -701.485
where: short stacking energy: -284.214
Base-Backbone interact. energy: -1.152
local terms energy: -311.508454
where:
bonds (distance) C4'-P energy: -61.388
bonds (distance) P-C4' energy: -55.680
flat angles C4'-P-C4' energy: -80.772
flat angles P-C4'-P energy: -40.363
tors. eta vs tors. theta energy: -73.306
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: 7, replica: 6
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -984.871052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.871052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.377542 (E_RNA)
where:
Base-Base interactions energy: -687.177
where: short stacking energy: -257.197
Base-Backbone interact. energy: -3.072
local terms energy: -297.128867
where:
bonds (distance) C4'-P energy: -54.868
bonds (distance) P-C4' energy: -60.105
flat angles C4'-P-C4' energy: -72.529
flat angles P-C4'-P energy: -43.114
tors. eta vs tors. theta energy: -66.514
Dist. restrs. and SS energy: 2.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -975.414576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.414576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.239396 (E_RNA)
where:
Base-Base interactions energy: -673.980
where: short stacking energy: -278.081
Base-Backbone interact. energy: -2.108
local terms energy: -300.151552
where:
bonds (distance) C4'-P energy: -39.738
bonds (distance) P-C4' energy: -67.561
flat angles C4'-P-C4' energy: -68.232
flat angles P-C4'-P energy: -46.225
tors. eta vs tors. theta energy: -78.396
Dist. restrs. and SS energy: 0.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -894.304914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.304914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.940630 (E_RNA)
where:
Base-Base interactions energy: -635.420
where: short stacking energy: -254.307
Base-Backbone interact. energy: -1.366
local terms energy: -271.154255
where:
bonds (distance) C4'-P energy: -42.612
bonds (distance) P-C4' energy: -62.181
flat angles C4'-P-C4' energy: -61.447
flat angles P-C4'-P energy: -42.216
tors. eta vs tors. theta energy: -62.699
Dist. restrs. and SS energy: 13.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -841.274108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.274108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.555677 (E_RNA)
where:
Base-Base interactions energy: -572.153
where: short stacking energy: -236.441
Base-Backbone interact. energy: -0.316
local terms energy: -285.087099
where:
bonds (distance) C4'-P energy: -46.940
bonds (distance) P-C4' energy: -62.507
flat angles C4'-P-C4' energy: -67.163
flat angles P-C4'-P energy: -47.067
tors. eta vs tors. theta energy: -61.409
Dist. restrs. and SS energy: 16.282 (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: 5
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1212.521485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.521485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.760981 (E_RNA)
where:
Base-Base interactions energy: -830.428
where: short stacking energy: -360.030
Base-Backbone interact. energy: -3.033
local terms energy: -381.300349
where:
bonds (distance) C4'-P energy: -74.015
bonds (distance) P-C4' energy: -66.432
flat angles C4'-P-C4' energy: -82.088
flat angles P-C4'-P energy: -52.853
tors. eta vs tors. theta energy: -105.911
Dist. restrs. and SS energy: 2.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1204.770430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.770430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.557407 (E_RNA)
where:
Base-Base interactions energy: -844.061
where: short stacking energy: -348.080
Base-Backbone interact. energy: -2.426
local terms energy: -364.070707
where:
bonds (distance) C4'-P energy: -64.525
bonds (distance) P-C4' energy: -66.549
flat angles C4'-P-C4' energy: -81.614
flat angles P-C4'-P energy: -57.372
tors. eta vs tors. theta energy: -94.011
Dist. restrs. and SS energy: 5.787 (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: 116
Temperature: 1.000000
Total energy: -1216.335512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.335512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.283496 (E_RNA)
where:
Base-Base interactions energy: -841.391
where: short stacking energy: -358.603
Base-Backbone interact. energy: -1.700
local terms energy: -377.192594
where:
bonds (distance) C4'-P energy: -57.706
bonds (distance) P-C4' energy: -71.365
flat angles C4'-P-C4' energy: -77.444
flat angles P-C4'-P energy: -64.541
tors. eta vs tors. theta energy: -106.136
Dist. restrs. and SS energy: 3.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1132.637470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.637470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.969335 (E_RNA)
where:
Base-Base interactions energy: -799.570
where: short stacking energy: -316.961
Base-Backbone interact. energy: 3.176
local terms energy: -339.574819
where:
bonds (distance) C4'-P energy: -52.537
bonds (distance) P-C4' energy: -73.124
flat angles C4'-P-C4' energy: -72.711
flat angles P-C4'-P energy: -47.408
tors. eta vs tors. theta energy: -93.795
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: 5, replica: 10
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1057.842591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.842591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.962874 (E_RNA)
where:
Base-Base interactions energy: -743.434
where: short stacking energy: -306.729
Base-Backbone interact. energy: -2.934
local terms energy: -315.594916
where:
bonds (distance) C4'-P energy: -59.748
bonds (distance) P-C4' energy: -61.339
flat angles C4'-P-C4' energy: -71.562
flat angles P-C4'-P energy: -42.085
tors. eta vs tors. theta energy: -80.862
Dist. restrs. and SS energy: 4.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1046.298534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.298534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.539067 (E_RNA)
where:
Base-Base interactions energy: -715.699
where: short stacking energy: -279.852
Base-Backbone interact. energy: -1.937
local terms energy: -332.903168
where:
bonds (distance) C4'-P energy: -68.012
bonds (distance) P-C4' energy: -76.875
flat angles C4'-P-C4' energy: -70.572
flat angles P-C4'-P energy: -47.963
tors. eta vs tors. theta energy: -69.481
Dist. restrs. and SS energy: 4.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1016.388083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.388083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.570311 (E_RNA)
where:
Base-Base interactions energy: -713.755
where: short stacking energy: -288.084
Base-Backbone interact. energy: -0.560
local terms energy: -303.256134
where:
bonds (distance) C4'-P energy: -61.696
bonds (distance) P-C4' energy: -56.782
flat angles C4'-P-C4' energy: -72.787
flat angles P-C4'-P energy: -39.266
tors. eta vs tors. theta energy: -72.726
Dist. restrs. and SS energy: 1.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -941.784016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.784016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.103425 (E_RNA)
where:
Base-Base interactions energy: -660.684
where: short stacking energy: -253.978
Base-Backbone interact. energy: -1.110
local terms energy: -284.308790
where:
bonds (distance) C4'-P energy: -64.849
bonds (distance) P-C4' energy: -55.207
flat angles C4'-P-C4' energy: -58.841
flat angles P-C4'-P energy: -47.657
tors. eta vs tors. theta energy: -57.756
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: 9, replica: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -916.875639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.875639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.926957 (E_RNA)
where:
Base-Base interactions energy: -652.206
where: short stacking energy: -257.388
Base-Backbone interact. energy: -0.712
local terms energy: -282.009845
where:
bonds (distance) C4'-P energy: -51.576
bonds (distance) P-C4' energy: -53.779
flat angles C4'-P-C4' energy: -62.718
flat angles P-C4'-P energy: -46.812
tors. eta vs tors. theta energy: -67.126
Dist. restrs. and SS energy: 18.051 (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: 2
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -814.877258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.877258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.036462 (E_RNA)
where:
Base-Base interactions energy: -565.520
where: short stacking energy: -226.134
Base-Backbone interact. energy: -0.832
local terms energy: -264.684159
where:
bonds (distance) C4'-P energy: -48.665
bonds (distance) P-C4' energy: -62.933
flat angles C4'-P-C4' energy: -56.339
flat angles P-C4'-P energy: -48.274
tors. eta vs tors. theta energy: -48.474
Dist. restrs. and SS energy: 16.159 (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: 5
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1242.175306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.175306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.018385 (E_RNA)
where:
Base-Base interactions energy: -852.882
where: short stacking energy: -380.920
Base-Backbone interact. energy: 0.055
local terms energy: -390.191049
where:
bonds (distance) C4'-P energy: -71.602
bonds (distance) P-C4' energy: -76.194
flat angles C4'-P-C4' energy: -78.337
flat angles P-C4'-P energy: -55.353
tors. eta vs tors. theta energy: -108.704
Dist. restrs. and SS energy: 0.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1197.426791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.426791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.683722 (E_RNA)
where:
Base-Base interactions energy: -833.176
where: short stacking energy: -337.483
Base-Backbone interact. energy: -0.597
local terms energy: -365.910599
where:
bonds (distance) C4'-P energy: -70.397
bonds (distance) P-C4' energy: -68.118
flat angles C4'-P-C4' energy: -79.613
flat angles P-C4'-P energy: -48.770
tors. eta vs tors. theta energy: -99.013
Dist. restrs. and SS energy: 2.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1208.558451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.558451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.918003 (E_RNA)
where:
Base-Base interactions energy: -859.029
where: short stacking energy: -345.122
Base-Backbone interact. energy: -2.183
local terms energy: -355.706129
where:
bonds (distance) C4'-P energy: -63.664
bonds (distance) P-C4' energy: -64.164
flat angles C4'-P-C4' energy: -77.310
flat angles P-C4'-P energy: -49.915
tors. eta vs tors. theta energy: -100.654
Dist. restrs. and SS energy: 8.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1119.700319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.700319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.954766 (E_RNA)
where:
Base-Base interactions energy: -782.795
where: short stacking energy: -305.110
Base-Backbone interact. energy: -0.431
local terms energy: -339.729142
where:
bonds (distance) C4'-P energy: -61.401
bonds (distance) P-C4' energy: -72.847
flat angles C4'-P-C4' energy: -65.832
flat angles P-C4'-P energy: -56.991
tors. eta vs tors. theta energy: -82.658
Dist. restrs. and SS energy: 3.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1085.508996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.508996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.768284 (E_RNA)
where:
Base-Base interactions energy: -765.296
where: short stacking energy: -324.061
Base-Backbone interact. energy: 0.553
local terms energy: -325.025214
where:
bonds (distance) C4'-P energy: -59.373
bonds (distance) P-C4' energy: -57.874
flat angles C4'-P-C4' energy: -74.469
flat angles P-C4'-P energy: -46.806
tors. eta vs tors. theta energy: -86.503
Dist. restrs. and SS energy: 4.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1074.507834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.507834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.932893 (E_RNA)
where:
Base-Base interactions energy: -748.092
where: short stacking energy: -296.336
Base-Backbone interact. energy: -3.160
local terms energy: -326.680612
where:
bonds (distance) C4'-P energy: -55.170
bonds (distance) P-C4' energy: -73.369
flat angles C4'-P-C4' energy: -74.498
flat angles P-C4'-P energy: -44.171
tors. eta vs tors. theta energy: -79.473
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: 7, replica: 3
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -992.592711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.592711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.825288 (E_RNA)
where:
Base-Base interactions energy: -697.805
where: short stacking energy: -283.496
Base-Backbone interact. energy: 0.649
local terms energy: -303.668731
where:
bonds (distance) C4'-P energy: -64.000
bonds (distance) P-C4' energy: -46.803
flat angles C4'-P-C4' energy: -66.521
flat angles P-C4'-P energy: -46.975
tors. eta vs tors. theta energy: -79.370
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: 8, replica: 1
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -932.438134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.438134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.852760 (E_RNA)
where:
Base-Base interactions energy: -655.758
where: short stacking energy: -275.814
Base-Backbone interact. energy: -2.173
local terms energy: -279.921715
where:
bonds (distance) C4'-P energy: -52.056
bonds (distance) P-C4' energy: -59.648
flat angles C4'-P-C4' energy: -64.983
flat angles P-C4'-P energy: -32.944
tors. eta vs tors. theta energy: -70.291
Dist. restrs. and SS energy: 5.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -961.496969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.496969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.127795 (E_RNA)
where:
Base-Base interactions energy: -659.257
where: short stacking energy: -264.078
Base-Backbone interact. energy: -1.024
local terms energy: -308.846772
where:
bonds (distance) C4'-P energy: -64.453
bonds (distance) P-C4' energy: -75.594
flat angles C4'-P-C4' energy: -60.699
flat angles P-C4'-P energy: -50.407
tors. eta vs tors. theta energy: -57.694
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: 10, replica: 2
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -801.253792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.253792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.528300 (E_RNA)
where:
Base-Base interactions energy: -574.674
where: short stacking energy: -223.431
Base-Backbone interact. energy: 1.443
local terms energy: -242.297201
where:
bonds (distance) C4'-P energy: -43.964
bonds (distance) P-C4' energy: -63.289
flat angles C4'-P-C4' energy: -59.787
flat angles P-C4'-P energy: -35.730
tors. eta vs tors. theta energy: -39.527
Dist. restrs. and SS energy: 14.275 (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: 8
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1232.220165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.220165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.533352 (E_RNA)
where:
Base-Base interactions energy: -850.540
where: short stacking energy: -345.415
Base-Backbone interact. energy: -1.302
local terms energy: -383.691832
where:
bonds (distance) C4'-P energy: -69.308
bonds (distance) P-C4' energy: -69.688
flat angles C4'-P-C4' energy: -81.183
flat angles P-C4'-P energy: -60.701
tors. eta vs tors. theta energy: -102.812
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: 5
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1206.433409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.433409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.205091 (E_RNA)
where:
Base-Base interactions energy: -829.242
where: short stacking energy: -359.592
Base-Backbone interact. energy: -3.895
local terms energy: -374.068730
where:
bonds (distance) C4'-P energy: -75.594
bonds (distance) P-C4' energy: -67.840
flat angles C4'-P-C4' energy: -70.310
flat angles P-C4'-P energy: -51.427
tors. eta vs tors. theta energy: -108.898
Dist. restrs. and SS energy: 0.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1220.642461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.642461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.703933 (E_RNA)
where:
Base-Base interactions energy: -844.580
where: short stacking energy: -366.389
Base-Backbone interact. energy: -3.548
local terms energy: -378.576145
where:
bonds (distance) C4'-P energy: -73.213
bonds (distance) P-C4' energy: -68.496
flat angles C4'-P-C4' energy: -75.767
flat angles P-C4'-P energy: -57.915
tors. eta vs tors. theta energy: -103.186
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: 4, replica: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1111.270499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.270499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.735136 (E_RNA)
where:
Base-Base interactions energy: -759.961
where: short stacking energy: -326.623
Base-Backbone interact. energy: -1.144
local terms energy: -355.630132
where:
bonds (distance) C4'-P energy: -75.766
bonds (distance) P-C4' energy: -66.664
flat angles C4'-P-C4' energy: -68.289
flat angles P-C4'-P energy: -60.311
tors. eta vs tors. theta energy: -84.601
Dist. restrs. and SS energy: 5.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1100.234414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.234414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.733325 (E_RNA)
where:
Base-Base interactions energy: -768.218
where: short stacking energy: -320.924
Base-Backbone interact. energy: -2.782
local terms energy: -333.733248
where:
bonds (distance) C4'-P energy: -62.402
bonds (distance) P-C4' energy: -59.231
flat angles C4'-P-C4' energy: -72.162
flat angles P-C4'-P energy: -51.732
tors. eta vs tors. theta energy: -88.206
Dist. restrs. and SS energy: 4.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1060.813165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.813165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.809638 (E_RNA)
where:
Base-Base interactions energy: -736.308
where: short stacking energy: -300.242
Base-Backbone interact. energy: 1.592
local terms energy: -330.092935
where:
bonds (distance) C4'-P energy: -54.603
bonds (distance) P-C4' energy: -69.918
flat angles C4'-P-C4' energy: -67.738
flat angles P-C4'-P energy: -54.613
tors. eta vs tors. theta energy: -83.221
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: 7, replica: 3
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -994.620724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.620724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.303305 (E_RNA)
where:
Base-Base interactions energy: -694.104
where: short stacking energy: -280.502
Base-Backbone interact. energy: 3.184
local terms energy: -307.383466
where:
bonds (distance) C4'-P energy: -56.156
bonds (distance) P-C4' energy: -72.253
flat angles C4'-P-C4' energy: -59.183
flat angles P-C4'-P energy: -39.224
tors. eta vs tors. theta energy: -80.567
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: 8, replica: 1
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -926.574208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.574208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.675085 (E_RNA)
where:
Base-Base interactions energy: -639.521
where: short stacking energy: -246.463
Base-Backbone interact. energy: -1.979
local terms energy: -289.174588
where:
bonds (distance) C4'-P energy: -57.750
bonds (distance) P-C4' energy: -65.541
flat angles C4'-P-C4' energy: -68.881
flat angles P-C4'-P energy: -35.264
tors. eta vs tors. theta energy: -61.737
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: 9, replica: 2
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -860.927814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.927814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.670962 (E_RNA)
where:
Base-Base interactions energy: -599.169
where: short stacking energy: -236.123
Base-Backbone interact. energy: -1.122
local terms energy: -268.379902
where:
bonds (distance) C4'-P energy: -42.438
bonds (distance) P-C4' energy: -66.286
flat angles C4'-P-C4' energy: -69.820
flat angles P-C4'-P energy: -42.291
tors. eta vs tors. theta energy: -47.544
Dist. restrs. and SS energy: 7.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -877.614937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.614937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.535709 (E_RNA)
where:
Base-Base interactions energy: -633.299
where: short stacking energy: -243.901
Base-Backbone interact. energy: 2.262
local terms energy: -250.498675
where:
bonds (distance) C4'-P energy: -44.038
bonds (distance) P-C4' energy: -57.169
flat angles C4'-P-C4' energy: -66.122
flat angles P-C4'-P energy: -34.164
tors. eta vs tors. theta energy: -49.006
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: 1, replica: 8
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1259.263722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.263722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.331594 (E_RNA)
where:
Base-Base interactions energy: -862.444
where: short stacking energy: -359.822
Base-Backbone interact. energy: -0.723
local terms energy: -399.164948
where:
bonds (distance) C4'-P energy: -74.541
bonds (distance) P-C4' energy: -67.632
flat angles C4'-P-C4' energy: -80.518
flat angles P-C4'-P energy: -62.166
tors. eta vs tors. theta energy: -114.307
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: 2, replica: 5
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1180.129950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.129950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.089651 (E_RNA)
where:
Base-Base interactions energy: -814.286
where: short stacking energy: -336.138
Base-Backbone interact. energy: -1.890
local terms energy: -365.913412
where:
bonds (distance) C4'-P energy: -73.198
bonds (distance) P-C4' energy: -63.226
flat angles C4'-P-C4' energy: -76.632
flat angles P-C4'-P energy: -58.270
tors. eta vs tors. theta energy: -94.587
Dist. restrs. and SS energy: 1.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1180.215515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.215515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.063525 (E_RNA)
where:
Base-Base interactions energy: -828.415
where: short stacking energy: -348.362
Base-Backbone interact. energy: -0.965
local terms energy: -354.682673
where:
bonds (distance) C4'-P energy: -55.424
bonds (distance) P-C4' energy: -65.023
flat angles C4'-P-C4' energy: -75.180
flat angles P-C4'-P energy: -50.506
tors. eta vs tors. theta energy: -108.550
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: 4, replica: 7
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1115.851628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.851628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.802940 (E_RNA)
where:
Base-Base interactions energy: -783.717
where: short stacking energy: -329.800
Base-Backbone interact. energy: -0.928
local terms energy: -334.157668
where:
bonds (distance) C4'-P energy: -55.304
bonds (distance) P-C4' energy: -57.865
flat angles C4'-P-C4' energy: -78.799
flat angles P-C4'-P energy: -50.555
tors. eta vs tors. theta energy: -91.634
Dist. restrs. and SS energy: 2.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1038.470521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.470521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.240642 (E_RNA)
where:
Base-Base interactions energy: -739.598
where: short stacking energy: -303.347
Base-Backbone interact. energy: -1.090
local terms energy: -304.552553
where:
bonds (distance) C4'-P energy: -60.730
bonds (distance) P-C4' energy: -60.456
flat angles C4'-P-C4' energy: -68.408
flat angles P-C4'-P energy: -40.938
tors. eta vs tors. theta energy: -74.021
Dist. restrs. and SS energy: 6.770 (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: 10
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1072.001963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.001963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.645705 (E_RNA)
where:
Base-Base interactions energy: -768.950
where: short stacking energy: -304.583
Base-Backbone interact. energy: -0.363
local terms energy: -306.331917
where:
bonds (distance) C4'-P energy: -55.726
bonds (distance) P-C4' energy: -47.883
flat angles C4'-P-C4' energy: -71.561
flat angles P-C4'-P energy: -52.897
tors. eta vs tors. theta energy: -78.264
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: 7, replica: 3
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1008.179036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.179036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.926561 (E_RNA)
where:
Base-Base interactions energy: -701.996
where: short stacking energy: -287.288
Base-Backbone interact. energy: 0.118
local terms energy: -310.048584
where:
bonds (distance) C4'-P energy: -61.366
bonds (distance) P-C4' energy: -60.171
flat angles C4'-P-C4' energy: -55.476
flat angles P-C4'-P energy: -48.877
tors. eta vs tors. theta energy: -84.159
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: 8, replica: 1
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -968.591248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.591248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.148200 (E_RNA)
where:
Base-Base interactions energy: -675.272
where: short stacking energy: -276.267
Base-Backbone interact. energy: -0.479
local terms energy: -298.397123
where:
bonds (distance) C4'-P energy: -52.313
bonds (distance) P-C4' energy: -55.516
flat angles C4'-P-C4' energy: -73.851
flat angles P-C4'-P energy: -45.006
tors. eta vs tors. theta energy: -71.711
Dist. restrs. and SS energy: 5.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -876.878746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.878746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.342776 (E_RNA)
where:
Base-Base interactions energy: -588.430
where: short stacking energy: -240.676
Base-Backbone interact. energy: -0.045
local terms energy: -291.867912
where:
bonds (distance) C4'-P energy: -58.137
bonds (distance) P-C4' energy: -67.650
flat angles C4'-P-C4' energy: -73.595
flat angles P-C4'-P energy: -41.221
tors. eta vs tors. theta energy: -51.265
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: 10, replica: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -885.015498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.015498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.048468 (E_RNA)
where:
Base-Base interactions energy: -622.414
where: short stacking energy: -243.068
Base-Backbone interact. energy: 2.066
local terms energy: -275.701000
where:
bonds (distance) C4'-P energy: -35.087
bonds (distance) P-C4' energy: -61.353
flat angles C4'-P-C4' energy: -74.136
flat angles P-C4'-P energy: -49.716
tors. eta vs tors. theta energy: -55.410
Dist. restrs. and SS energy: 11.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1261.437151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.437151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.492381 (E_RNA)
where:
Base-Base interactions energy: -878.642
where: short stacking energy: -365.527
Base-Backbone interact. energy: 0.712
local terms energy: -386.562888
where:
bonds (distance) C4'-P energy: -79.659
bonds (distance) P-C4' energy: -64.270
flat angles C4'-P-C4' energy: -74.295
flat angles P-C4'-P energy: -54.941
tors. eta vs tors. theta energy: -113.398
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: 2, replica: 5
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1173.283084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.283084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.793234 (E_RNA)
where:
Base-Base interactions energy: -819.530
where: short stacking energy: -345.137
Base-Backbone interact. energy: -1.128
local terms energy: -353.135970
where:
bonds (distance) C4'-P energy: -64.154
bonds (distance) P-C4' energy: -67.823
flat angles C4'-P-C4' energy: -80.488
flat angles P-C4'-P energy: -44.159
tors. eta vs tors. theta energy: -96.512
Dist. restrs. and SS energy: 0.510 (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: 9
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1204.960931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.960931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.958237 (E_RNA)
where:
Base-Base interactions energy: -849.335
where: short stacking energy: -349.590
Base-Backbone interact. energy: -2.498
local terms energy: -358.125686
where:
bonds (distance) C4'-P energy: -60.154
bonds (distance) P-C4' energy: -79.952
flat angles C4'-P-C4' energy: -69.877
flat angles P-C4'-P energy: -44.242
tors. eta vs tors. theta energy: -103.901
Dist. restrs. and SS energy: 4.997 (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: 7
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1093.746116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.746116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.925197 (E_RNA)
where:
Base-Base interactions energy: -754.030
where: short stacking energy: -304.247
Base-Backbone interact. energy: 3.369
local terms energy: -346.263915
where:
bonds (distance) C4'-P energy: -67.307
bonds (distance) P-C4' energy: -57.617
flat angles C4'-P-C4' energy: -81.756
flat angles P-C4'-P energy: -52.725
tors. eta vs tors. theta energy: -86.859
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: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1060.012982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.012982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.192984 (E_RNA)
where:
Base-Base interactions energy: -760.040
where: short stacking energy: -299.322
Base-Backbone interact. energy: -2.260
local terms energy: -301.893765
where:
bonds (distance) C4'-P energy: -60.772
bonds (distance) P-C4' energy: -59.813
flat angles C4'-P-C4' energy: -63.206
flat angles P-C4'-P energy: -40.580
tors. eta vs tors. theta energy: -77.523
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: 6, replica: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1000.258279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.258279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.969381 (E_RNA)
where:
Base-Base interactions energy: -696.034
where: short stacking energy: -279.276
Base-Backbone interact. energy: -0.248
local terms energy: -312.687760
where:
bonds (distance) C4'-P energy: -59.623
bonds (distance) P-C4' energy: -68.627
flat angles C4'-P-C4' energy: -72.154
flat angles P-C4'-P energy: -45.008
tors. eta vs tors. theta energy: -67.276
Dist. restrs. and SS energy: 8.711 (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: 1
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -949.475061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.475061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.601979 (E_RNA)
where:
Base-Base interactions energy: -644.027
where: short stacking energy: -257.230
Base-Backbone interact. energy: -0.550
local terms energy: -311.025656
where:
bonds (distance) C4'-P energy: -73.700
bonds (distance) P-C4' energy: -60.296
flat angles C4'-P-C4' energy: -59.713
flat angles P-C4'-P energy: -57.938
tors. eta vs tors. theta energy: -59.378
Dist. restrs. and SS energy: 6.127 (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: 3
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -983.819664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.819664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.152397 (E_RNA)
where:
Base-Base interactions energy: -680.346
where: short stacking energy: -282.797
Base-Backbone interact. energy: 0.249
local terms energy: -309.055826
where:
bonds (distance) C4'-P energy: -60.529
bonds (distance) P-C4' energy: -52.432
flat angles C4'-P-C4' energy: -65.553
flat angles P-C4'-P energy: -49.137
tors. eta vs tors. theta energy: -81.405
Dist. restrs. and SS energy: 5.333 (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: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -955.505240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.505240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.386637 (E_RNA)
where:
Base-Base interactions energy: -677.853
where: short stacking energy: -265.527
Base-Backbone interact. energy: -1.933
local terms energy: -279.600508
where:
bonds (distance) C4'-P energy: -43.145
bonds (distance) P-C4' energy: -58.982
flat angles C4'-P-C4' energy: -63.729
flat angles P-C4'-P energy: -46.075
tors. eta vs tors. theta energy: -67.669
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: 10, replica: 2
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -849.836617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.836617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.401181 (E_RNA)
where:
Base-Base interactions energy: -601.399
where: short stacking energy: -226.582
Base-Backbone interact. energy: -2.299
local terms energy: -249.703007
where:
bonds (distance) C4'-P energy: -59.074
bonds (distance) P-C4' energy: -60.722
flat angles C4'-P-C4' energy: -40.982
flat angles P-C4'-P energy: -40.441
tors. eta vs tors. theta energy: -48.484
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: 1, replica: 8
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1253.678750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.678750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.719826 (E_RNA)
where:
Base-Base interactions energy: -867.893
where: short stacking energy: -360.881
Base-Backbone interact. energy: -2.626
local terms energy: -387.200689
where:
bonds (distance) C4'-P energy: -69.640
bonds (distance) P-C4' energy: -72.216
flat angles C4'-P-C4' energy: -81.570
flat angles P-C4'-P energy: -58.318
tors. eta vs tors. theta energy: -105.457
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: 2, replica: 9
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1193.541737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.541737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.616631 (E_RNA)
where:
Base-Base interactions energy: -819.864
where: short stacking energy: -347.458
Base-Backbone interact. energy: -0.954
local terms energy: -376.798734
where:
bonds (distance) C4'-P energy: -61.302
bonds (distance) P-C4' energy: -74.378
flat angles C4'-P-C4' energy: -82.798
flat angles P-C4'-P energy: -59.916
tors. eta vs tors. theta energy: -98.405
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: 3, replica: 5
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1144.770669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.770669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.583742 (E_RNA)
where:
Base-Base interactions energy: -794.715
where: short stacking energy: -328.427
Base-Backbone interact. energy: -1.259
local terms energy: -350.610254
where:
bonds (distance) C4'-P energy: -69.699
bonds (distance) P-C4' energy: -73.318
flat angles C4'-P-C4' energy: -71.964
flat angles P-C4'-P energy: -47.220
tors. eta vs tors. theta energy: -88.409
Dist. restrs. and SS energy: 1.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1127.126220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.126220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.789742 (E_RNA)
where:
Base-Base interactions energy: -792.129
where: short stacking energy: -329.461
Base-Backbone interact. energy: -2.696
local terms energy: -335.964671
where:
bonds (distance) C4'-P energy: -63.786
bonds (distance) P-C4' energy: -65.471
flat angles C4'-P-C4' energy: -73.675
flat angles P-C4'-P energy: -43.805
tors. eta vs tors. theta energy: -89.228
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: 5, replica: 7
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1111.659552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.659552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.067186 (E_RNA)
where:
Base-Base interactions energy: -777.949
where: short stacking energy: -320.826
Base-Backbone interact. energy: -2.596
local terms energy: -334.522728
where:
bonds (distance) C4'-P energy: -63.124
bonds (distance) P-C4' energy: -70.017
flat angles C4'-P-C4' energy: -60.050
flat angles P-C4'-P energy: -46.034
tors. eta vs tors. theta energy: -95.298
Dist. restrs. and SS energy: 3.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -997.417154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.417154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.939402 (E_RNA)
where:
Base-Base interactions energy: -712.732
where: short stacking energy: -304.493
Base-Backbone interact. energy: -1.022
local terms energy: -297.185927
where:
bonds (distance) C4'-P energy: -52.919
bonds (distance) P-C4' energy: -57.678
flat angles C4'-P-C4' energy: -66.592
flat angles P-C4'-P energy: -45.391
tors. eta vs tors. theta energy: -74.606
Dist. restrs. and SS energy: 13.522 (S_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: 121
Temperature: 1.200000
Total energy: -941.909959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.909959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.975777 (E_RNA)
where:
Base-Base interactions energy: -659.633
where: short stacking energy: -273.305
Base-Backbone interact. energy: 0.190
local terms energy: -285.532825
where:
bonds (distance) C4'-P energy: -57.079
bonds (distance) P-C4' energy: -48.363
flat angles C4'-P-C4' energy: -74.553
flat angles P-C4'-P energy: -43.059
tors. eta vs tors. theta energy: -62.479
Dist. restrs. and SS energy: 3.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -969.830046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.830046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.157321 (E_RNA)
where:
Base-Base interactions energy: -702.417
where: short stacking energy: -283.608
Base-Backbone interact. energy: 0.215
local terms energy: -272.955566
where:
bonds (distance) C4'-P energy: -52.221
bonds (distance) P-C4' energy: -66.412
flat angles C4'-P-C4' energy: -61.227
flat angles P-C4'-P energy: -25.499
tors. eta vs tors. theta energy: -67.597
Dist. restrs. and SS energy: 5.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -915.941808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.941808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.945324 (E_RNA)
where:
Base-Base interactions energy: -652.203
where: short stacking energy: -246.952
Base-Backbone interact. energy: -2.587
local terms energy: -266.155609
where:
bonds (distance) C4'-P energy: -46.211
bonds (distance) P-C4' energy: -51.097
flat angles C4'-P-C4' energy: -59.181
flat angles P-C4'-P energy: -42.145
tors. eta vs tors. theta energy: -67.521
Dist. restrs. and SS energy: 5.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -902.792398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.792398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.372697 (E_RNA)
where:
Base-Base interactions energy: -645.447
where: short stacking energy: -228.606
Base-Backbone interact. energy: -1.031
local terms energy: -257.894524
where:
bonds (distance) C4'-P energy: -63.418
bonds (distance) P-C4' energy: -44.528
flat angles C4'-P-C4' energy: -63.451
flat angles P-C4'-P energy: -32.612
tors. eta vs tors. theta energy: -53.886
Dist. restrs. and SS energy: 1.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1248.615404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.615404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.542674 (E_RNA)
where:
Base-Base interactions energy: -875.784
where: short stacking energy: -365.267
Base-Backbone interact. energy: -1.162
local terms energy: -374.596836
where:
bonds (distance) C4'-P energy: -68.201
bonds (distance) P-C4' energy: -71.375
flat angles C4'-P-C4' energy: -75.272
flat angles P-C4'-P energy: -52.200
tors. eta vs tors. theta energy: -107.549
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: 9
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1214.510966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.510966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.710614 (E_RNA)
where:
Base-Base interactions energy: -845.022
where: short stacking energy: -356.489
Base-Backbone interact. energy: -2.437
local terms energy: -373.251712
where:
bonds (distance) C4'-P energy: -67.733
bonds (distance) P-C4' energy: -64.124
flat angles C4'-P-C4' energy: -76.088
flat angles P-C4'-P energy: -57.812
tors. eta vs tors. theta energy: -107.495
Dist. restrs. and SS energy: 6.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1157.057565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.057565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.759738 (E_RNA)
where:
Base-Base interactions energy: -794.055
where: short stacking energy: -324.539
Base-Backbone interact. energy: 0.390
local terms energy: -366.095448
where:
bonds (distance) C4'-P energy: -71.248
bonds (distance) P-C4' energy: -65.265
flat angles C4'-P-C4' energy: -75.984
flat angles P-C4'-P energy: -53.627
tors. eta vs tors. theta energy: -99.972
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: 4, replica: 10
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1115.083027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.083027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.391311 (E_RNA)
where:
Base-Base interactions energy: -760.293
where: short stacking energy: -308.203
Base-Backbone interact. energy: 4.377
local terms energy: -362.475611
where:
bonds (distance) C4'-P energy: -60.635
bonds (distance) P-C4' energy: -68.358
flat angles C4'-P-C4' energy: -84.327
flat angles P-C4'-P energy: -55.076
tors. eta vs tors. theta energy: -94.080
Dist. restrs. and SS energy: 3.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1090.886455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.886455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.825613 (E_RNA)
where:
Base-Base interactions energy: -755.981
where: short stacking energy: -322.017
Base-Backbone interact. energy: -0.282
local terms energy: -339.562308
where:
bonds (distance) C4'-P energy: -63.401
bonds (distance) P-C4' energy: -70.893
flat angles C4'-P-C4' energy: -66.600
flat angles P-C4'-P energy: -51.452
tors. eta vs tors. theta energy: -87.216
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: 6, replica: 4
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -991.967446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.967446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.961985 (E_RNA)
where:
Base-Base interactions energy: -691.626
where: short stacking energy: -283.907
Base-Backbone interact. energy: -1.005
local terms energy: -309.330586
where:
bonds (distance) C4'-P energy: -58.854
bonds (distance) P-C4' energy: -67.456
flat angles C4'-P-C4' energy: -57.969
flat angles P-C4'-P energy: -36.392
tors. eta vs tors. theta energy: -88.660
Dist. restrs. and SS energy: 9.995 (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: 3
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -970.064579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.064579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.448407 (E_RNA)
where:
Base-Base interactions energy: -679.550
where: short stacking energy: -279.491
Base-Backbone interact. energy: -1.815
local terms energy: -293.083405
where:
bonds (distance) C4'-P energy: -61.122
bonds (distance) P-C4' energy: -65.624
flat angles C4'-P-C4' energy: -64.779
flat angles P-C4'-P energy: -30.930
tors. eta vs tors. theta energy: -70.628
Dist. restrs. and SS energy: 4.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -951.109323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.109323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.023596 (E_RNA)
where:
Base-Base interactions energy: -655.974
where: short stacking energy: -250.505
Base-Backbone interact. energy: -3.408
local terms energy: -298.641838
where:
bonds (distance) C4'-P energy: -53.892
bonds (distance) P-C4' energy: -66.121
flat angles C4'-P-C4' energy: -71.434
flat angles P-C4'-P energy: -45.568
tors. eta vs tors. theta energy: -61.626
Dist. restrs. and SS energy: 6.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -924.263094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.263094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.862575 (E_RNA)
where:
Base-Base interactions energy: -621.432
where: short stacking energy: -239.465
Base-Backbone interact. energy: 0.153
local terms energy: -306.583767
where:
bonds (distance) C4'-P energy: -61.227
bonds (distance) P-C4' energy: -68.407
flat angles C4'-P-C4' energy: -63.051
flat angles P-C4'-P energy: -47.833
tors. eta vs tors. theta energy: -66.065
Dist. restrs. and SS energy: 3.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -864.338838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.338838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.491099 (E_RNA)
where:
Base-Base interactions energy: -607.203
where: short stacking energy: -241.439
Base-Backbone interact. energy: 0.155
local terms energy: -259.442662
where:
bonds (distance) C4'-P energy: -52.276
bonds (distance) P-C4' energy: -65.844
flat angles C4'-P-C4' energy: -64.419
flat angles P-C4'-P energy: -31.088
tors. eta vs tors. theta energy: -45.816
Dist. restrs. and SS energy: 2.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1275.881792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.881792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.114735 (E_RNA)
where:
Base-Base interactions energy: -897.701
where: short stacking energy: -392.806
Base-Backbone interact. energy: -1.382
local terms energy: -380.031895
where:
bonds (distance) C4'-P energy: -65.865
bonds (distance) P-C4' energy: -62.715
flat angles C4'-P-C4' energy: -83.619
flat angles P-C4'-P energy: -53.357
tors. eta vs tors. theta energy: -114.476
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: 2, replica: 9
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1192.643000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.643000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.295244 (E_RNA)
where:
Base-Base interactions energy: -826.016
where: short stacking energy: -341.319
Base-Backbone interact. energy: -2.390
local terms energy: -369.888695
where:
bonds (distance) C4'-P energy: -66.807
bonds (distance) P-C4' energy: -75.609
flat angles C4'-P-C4' energy: -72.968
flat angles P-C4'-P energy: -56.149
tors. eta vs tors. theta energy: -98.355
Dist. restrs. and SS energy: 5.652 (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: 5
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1163.020244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.020244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.566634 (E_RNA)
where:
Base-Base interactions energy: -813.130
where: short stacking energy: -340.927
Base-Backbone interact. energy: -2.018
local terms energy: -350.418866
where:
bonds (distance) C4'-P energy: -66.799
bonds (distance) P-C4' energy: -54.888
flat angles C4'-P-C4' energy: -77.195
flat angles P-C4'-P energy: -52.682
tors. eta vs tors. theta energy: -98.855
Dist. restrs. and SS energy: 2.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1097.973012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.973012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.062369 (E_RNA)
where:
Base-Base interactions energy: -772.545
where: short stacking energy: -317.108
Base-Backbone interact. energy: -1.172
local terms energy: -327.345322
where:
bonds (distance) C4'-P energy: -65.021
bonds (distance) P-C4' energy: -65.127
flat angles C4'-P-C4' energy: -73.660
flat angles P-C4'-P energy: -43.335
tors. eta vs tors. theta energy: -80.202
Dist. restrs. and SS energy: 3.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1088.389291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.389291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.340598 (E_RNA)
where:
Base-Base interactions energy: -762.605
where: short stacking energy: -325.527
Base-Backbone interact. energy: 0.151
local terms energy: -329.886826
where:
bonds (distance) C4'-P energy: -64.000
bonds (distance) P-C4' energy: -57.345
flat angles C4'-P-C4' energy: -72.129
flat angles P-C4'-P energy: -40.210
tors. eta vs tors. theta energy: -96.203
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: 6, replica: 4
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1017.777774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.777774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.529129 (E_RNA)
where:
Base-Base interactions energy: -718.562
where: short stacking energy: -282.396
Base-Backbone interact. energy: 0.537
local terms energy: -309.503642
where:
bonds (distance) C4'-P energy: -51.529
bonds (distance) P-C4' energy: -74.889
flat angles C4'-P-C4' energy: -57.029
flat angles P-C4'-P energy: -44.574
tors. eta vs tors. theta energy: -81.483
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: 7, replica: 3
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -963.036379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.036379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.349176 (E_RNA)
where:
Base-Base interactions energy: -685.237
where: short stacking energy: -267.057
Base-Backbone interact. energy: -0.763
local terms energy: -285.349482
where:
bonds (distance) C4'-P energy: -55.775
bonds (distance) P-C4' energy: -66.717
flat angles C4'-P-C4' energy: -54.738
flat angles P-C4'-P energy: -35.355
tors. eta vs tors. theta energy: -72.765
Dist. restrs. and SS energy: 8.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -964.357457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.357457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.506966 (E_RNA)
where:
Base-Base interactions energy: -665.556
where: short stacking energy: -268.236
Base-Backbone interact. energy: 2.882
local terms energy: -304.832942
where:
bonds (distance) C4'-P energy: -62.372
bonds (distance) P-C4' energy: -58.767
flat angles C4'-P-C4' energy: -65.066
flat angles P-C4'-P energy: -40.982
tors. eta vs tors. theta energy: -77.646
Dist. restrs. and SS energy: 3.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -938.883624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.883624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.825404 (E_RNA)
where:
Base-Base interactions energy: -666.586
where: short stacking energy: -272.714
Base-Backbone interact. energy: -1.611
local terms energy: -273.627903
where:
bonds (distance) C4'-P energy: -56.670
bonds (distance) P-C4' energy: -59.514
flat angles C4'-P-C4' energy: -55.592
flat angles P-C4'-P energy: -42.555
tors. eta vs tors. theta energy: -59.296
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: 10, replica: 2
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -877.622648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.622648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.924543 (E_RNA)
where:
Base-Base interactions energy: -624.590
where: short stacking energy: -244.237
Base-Backbone interact. energy: -1.363
local terms energy: -253.971904
where:
bonds (distance) C4'-P energy: -47.344
bonds (distance) P-C4' energy: -53.722
flat angles C4'-P-C4' energy: -64.685
flat angles P-C4'-P energy: -37.402
tors. eta vs tors. theta energy: -50.819
Dist. restrs. and SS energy: 2.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1240.681041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.681041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.243818 (E_RNA)
where:
Base-Base interactions energy: -857.676
where: short stacking energy: -362.347
Base-Backbone interact. energy: 1.155
local terms energy: -389.723172
where:
bonds (distance) C4'-P energy: -67.291
bonds (distance) P-C4' energy: -70.008
flat angles C4'-P-C4' energy: -84.357
flat angles P-C4'-P energy: -62.146
tors. eta vs tors. theta energy: -105.921
Dist. restrs. and SS energy: 5.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1232.779213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.779213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.839230 (E_RNA)
where:
Base-Base interactions energy: -864.013
where: short stacking energy: -355.902
Base-Backbone interact. energy: 0.208
local terms energy: -372.034198
where:
bonds (distance) C4'-P energy: -63.725
bonds (distance) P-C4' energy: -60.038
flat angles C4'-P-C4' energy: -80.754
flat angles P-C4'-P energy: -55.692
tors. eta vs tors. theta energy: -111.826
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: 5
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1176.534868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.534868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.638059 (E_RNA)
where:
Base-Base interactions energy: -825.838
where: short stacking energy: -330.674
Base-Backbone interact. energy: -0.884
local terms energy: -350.916695
where:
bonds (distance) C4'-P energy: -56.931
bonds (distance) P-C4' energy: -66.409
flat angles C4'-P-C4' energy: -76.485
flat angles P-C4'-P energy: -52.193
tors. eta vs tors. theta energy: -98.899
Dist. restrs. and SS energy: 1.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1098.010515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.010515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.195011 (E_RNA)
where:
Base-Base interactions energy: -762.830
where: short stacking energy: -325.688
Base-Backbone interact. energy: -1.126
local terms energy: -340.239476
where:
bonds (distance) C4'-P energy: -64.995
bonds (distance) P-C4' energy: -64.618
flat angles C4'-P-C4' energy: -64.963
flat angles P-C4'-P energy: -53.812
tors. eta vs tors. theta energy: -91.852
Dist. restrs. and SS energy: 6.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1037.917723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.917723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.165885 (E_RNA)
where:
Base-Base interactions energy: -720.518
where: short stacking energy: -303.408
Base-Backbone interact. energy: 1.344
local terms energy: -326.991806
where:
bonds (distance) C4'-P energy: -58.458
bonds (distance) P-C4' energy: -63.872
flat angles C4'-P-C4' energy: -72.186
flat angles P-C4'-P energy: -43.596
tors. eta vs tors. theta energy: -88.881
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: 10
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1050.432616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.432616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.430777 (E_RNA)
where:
Base-Base interactions energy: -731.692
where: short stacking energy: -284.255
Base-Backbone interact. energy: -1.570
local terms energy: -322.168790
where:
bonds (distance) C4'-P energy: -49.572
bonds (distance) P-C4' energy: -70.378
flat angles C4'-P-C4' energy: -71.187
flat angles P-C4'-P energy: -46.430
tors. eta vs tors. theta energy: -84.602
Dist. restrs. and SS energy: 4.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1023.187170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.187170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.223127 (E_RNA)
where:
Base-Base interactions energy: -732.177
where: short stacking energy: -296.870
Base-Backbone interact. energy: 6.188
local terms energy: -301.233953
where:
bonds (distance) C4'-P energy: -56.237
bonds (distance) P-C4' energy: -46.689
flat angles C4'-P-C4' energy: -72.728
flat angles P-C4'-P energy: -43.277
tors. eta vs tors. theta energy: -82.303
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: 8, replica: 3
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -915.670409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.670409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.371227 (E_RNA)
where:
Base-Base interactions energy: -665.459
where: short stacking energy: -270.958
Base-Backbone interact. energy: -1.661
local terms energy: -253.251273
where:
bonds (distance) C4'-P energy: -53.428
bonds (distance) P-C4' energy: -48.155
flat angles C4'-P-C4' energy: -63.130
flat angles P-C4'-P energy: -33.018
tors. eta vs tors. theta energy: -55.520
Dist. restrs. and SS energy: 4.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -929.186638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.186638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.798707 (E_RNA)
where:
Base-Base interactions energy: -645.201
where: short stacking energy: -253.692
Base-Backbone interact. energy: -1.796
local terms energy: -285.801370
where:
bonds (distance) C4'-P energy: -53.811
bonds (distance) P-C4' energy: -65.117
flat angles C4'-P-C4' energy: -70.500
flat angles P-C4'-P energy: -33.442
tors. eta vs tors. theta energy: -62.932
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: 10, replica: 2
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -894.022206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.022206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.234848 (E_RNA)
where:
Base-Base interactions energy: -654.132
where: short stacking energy: -254.775
Base-Backbone interact. energy: -1.563
local terms energy: -241.539261
where:
bonds (distance) C4'-P energy: -42.376
bonds (distance) P-C4' energy: -57.747
flat angles C4'-P-C4' energy: -61.720
flat angles P-C4'-P energy: -23.178
tors. eta vs tors. theta energy: -56.519
Dist. restrs. and SS energy: 3.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1249.850253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.850253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.314872 (E_RNA)
where:
Base-Base interactions energy: -869.620
where: short stacking energy: -357.486
Base-Backbone interact. energy: -2.511
local terms energy: -383.183416
where:
bonds (distance) C4'-P energy: -65.056
bonds (distance) P-C4' energy: -76.095
flat angles C4'-P-C4' energy: -80.970
flat angles P-C4'-P energy: -52.539
tors. eta vs tors. theta energy: -108.524
Dist. restrs. and SS energy: 5.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1250.817319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.817319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.448916 (E_RNA)
where:
Base-Base interactions energy: -864.298
where: short stacking energy: -366.426
Base-Backbone interact. energy: -1.978
local terms energy: -388.173120
where:
bonds (distance) C4'-P energy: -72.088
bonds (distance) P-C4' energy: -75.681
flat angles C4'-P-C4' energy: -75.454
flat angles P-C4'-P energy: -53.534
tors. eta vs tors. theta energy: -111.417
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: 3, replica: 5
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1142.599168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.599168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.166868 (E_RNA)
where:
Base-Base interactions energy: -796.618
where: short stacking energy: -331.718
Base-Backbone interact. energy: -2.023
local terms energy: -345.524904
where:
bonds (distance) C4'-P energy: -56.350
bonds (distance) P-C4' energy: -70.826
flat angles C4'-P-C4' energy: -74.607
flat angles P-C4'-P energy: -48.269
tors. eta vs tors. theta energy: -95.473
Dist. restrs. and SS energy: 1.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1110.909269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.909269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.663515 (E_RNA)
where:
Base-Base interactions energy: -763.527
where: short stacking energy: -325.367
Base-Backbone interact. energy: -1.815
local terms energy: -350.321910
where:
bonds (distance) C4'-P energy: -67.353
bonds (distance) P-C4' energy: -60.614
flat angles C4'-P-C4' energy: -80.146
flat angles P-C4'-P energy: -48.204
tors. eta vs tors. theta energy: -94.005
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: 5, replica: 4
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1062.946203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.946203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.891578 (E_RNA)
where:
Base-Base interactions energy: -722.653
where: short stacking energy: -302.063
Base-Backbone interact. energy: 0.001
local terms energy: -346.239522
where:
bonds (distance) C4'-P energy: -53.074
bonds (distance) P-C4' energy: -72.783
flat angles C4'-P-C4' energy: -73.830
flat angles P-C4'-P energy: -56.958
tors. eta vs tors. theta energy: -89.594
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: 6, replica: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1046.874024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.874024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.272894 (E_RNA)
where:
Base-Base interactions energy: -734.144
where: short stacking energy: -300.253
Base-Backbone interact. energy: -1.392
local terms energy: -315.736477
where:
bonds (distance) C4'-P energy: -60.447
bonds (distance) P-C4' energy: -69.198
flat angles C4'-P-C4' energy: -69.912
flat angles P-C4'-P energy: -40.656
tors. eta vs tors. theta energy: -75.524
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: 6
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1022.092644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.092644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.791548 (E_RNA)
where:
Base-Base interactions energy: -704.949
where: short stacking energy: -301.297
Base-Backbone interact. energy: -3.570
local terms energy: -318.272214
where:
bonds (distance) C4'-P energy: -64.611
bonds (distance) P-C4' energy: -65.107
flat angles C4'-P-C4' energy: -66.627
flat angles P-C4'-P energy: -46.597
tors. eta vs tors. theta energy: -75.331
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: 8, replica: 1
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -983.679814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.679814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.000228 (E_RNA)
where:
Base-Base interactions energy: -691.518
where: short stacking energy: -269.413
Base-Backbone interact. energy: -1.572
local terms energy: -292.910691
where:
bonds (distance) C4'-P energy: -62.518
bonds (distance) P-C4' energy: -63.332
flat angles C4'-P-C4' energy: -65.612
flat angles P-C4'-P energy: -36.338
tors. eta vs tors. theta energy: -65.110
Dist. restrs. and SS energy: 2.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -930.107369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.107369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.657509 (E_RNA)
where:
Base-Base interactions energy: -648.865
where: short stacking energy: -273.968
Base-Backbone interact. energy: -1.520
local terms energy: -282.272640
where:
bonds (distance) C4'-P energy: -68.329
bonds (distance) P-C4' energy: -45.700
flat angles C4'-P-C4' energy: -59.572
flat angles P-C4'-P energy: -33.835
tors. eta vs tors. theta energy: -74.837
Dist. restrs. and SS energy: 2.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -857.020486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.020486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.361117 (E_RNA)
where:
Base-Base interactions energy: -613.908
where: short stacking energy: -243.217
Base-Backbone interact. energy: -0.255
local terms energy: -251.198635
where:
bonds (distance) C4'-P energy: -55.573
bonds (distance) P-C4' energy: -46.358
flat angles C4'-P-C4' energy: -50.726
flat angles P-C4'-P energy: -34.705
tors. eta vs tors. theta energy: -63.838
Dist. restrs. and SS energy: 8.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1256.666354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.666354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.772403 (E_RNA)
where:
Base-Base interactions energy: -863.942
where: short stacking energy: -352.998
Base-Backbone interact. energy: -1.321
local terms energy: -396.509749
where:
bonds (distance) C4'-P energy: -78.535
bonds (distance) P-C4' energy: -74.096
flat angles C4'-P-C4' energy: -78.116
flat angles P-C4'-P energy: -55.739
tors. eta vs tors. theta energy: -110.024
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: 2, replica: 8
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1219.185049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.185049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.227693 (E_RNA)
where:
Base-Base interactions energy: -838.340
where: short stacking energy: -364.865
Base-Backbone interact. energy: -3.124
local terms energy: -381.763700
where:
bonds (distance) C4'-P energy: -64.603
bonds (distance) P-C4' energy: -70.105
flat angles C4'-P-C4' energy: -80.644
flat angles P-C4'-P energy: -57.982
tors. eta vs tors. theta energy: -108.429
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: 3, replica: 5
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1144.091718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.091718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.078781 (E_RNA)
where:
Base-Base interactions energy: -778.924
where: short stacking energy: -326.508
Base-Backbone interact. energy: -2.190
local terms energy: -364.965044
where:
bonds (distance) C4'-P energy: -67.471
bonds (distance) P-C4' energy: -62.105
flat angles C4'-P-C4' energy: -82.374
flat angles P-C4'-P energy: -52.722
tors. eta vs tors. theta energy: -100.293
Dist. restrs. and SS energy: 1.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1096.313638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.313638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.854324 (E_RNA)
where:
Base-Base interactions energy: -767.470
where: short stacking energy: -292.971
Base-Backbone interact. energy: 0.045
local terms energy: -333.428945
where:
bonds (distance) C4'-P energy: -75.244
bonds (distance) P-C4' energy: -69.239
flat angles C4'-P-C4' energy: -66.897
flat angles P-C4'-P energy: -47.899
tors. eta vs tors. theta energy: -74.149
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: 5, replica: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1060.402884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.402884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.531137 (E_RNA)
where:
Base-Base interactions energy: -731.948
where: short stacking energy: -293.847
Base-Backbone interact. energy: -0.836
local terms energy: -331.747467
where:
bonds (distance) C4'-P energy: -67.269
bonds (distance) P-C4' energy: -57.332
flat angles C4'-P-C4' energy: -78.205
flat angles P-C4'-P energy: -48.904
tors. eta vs tors. theta energy: -80.038
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: 6, replica: 4
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1016.056322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.056322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.805526 (E_RNA)
where:
Base-Base interactions energy: -702.279
where: short stacking energy: -307.345
Base-Backbone interact. energy: -0.917
local terms energy: -321.609416
where:
bonds (distance) C4'-P energy: -62.115
bonds (distance) P-C4' energy: -62.399
flat angles C4'-P-C4' energy: -57.673
flat angles P-C4'-P energy: -47.639
tors. eta vs tors. theta energy: -91.783
Dist. restrs. and SS energy: 8.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1005.885510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.885510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.818456 (E_RNA)
where:
Base-Base interactions energy: -719.674
where: short stacking energy: -290.517
Base-Backbone interact. energy: 0.769
local terms energy: -291.913226
where:
bonds (distance) C4'-P energy: -54.826
bonds (distance) P-C4' energy: -54.797
flat angles C4'-P-C4' energy: -63.102
flat angles P-C4'-P energy: -36.978
tors. eta vs tors. theta energy: -82.209
Dist. restrs. and SS energy: 4.933 (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: 1
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -952.248342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.248342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.981696 (E_RNA)
where:
Base-Base interactions energy: -654.548
where: short stacking energy: -255.635
Base-Backbone interact. energy: -1.816
local terms energy: -298.618034
where:
bonds (distance) C4'-P energy: -58.642
bonds (distance) P-C4' energy: -59.312
flat angles C4'-P-C4' energy: -66.269
flat angles P-C4'-P energy: -47.446
tors. eta vs tors. theta energy: -66.948
Dist. restrs. and SS energy: 2.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -894.308033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.308033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.661731 (E_RNA)
where:
Base-Base interactions energy: -622.014
where: short stacking energy: -244.889
Base-Backbone interact. energy: 0.868
local terms energy: -281.515362
where:
bonds (distance) C4'-P energy: -63.817
bonds (distance) P-C4' energy: -56.743
flat angles C4'-P-C4' energy: -62.305
flat angles P-C4'-P energy: -42.118
tors. eta vs tors. theta energy: -56.532
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: 10, replica: 3
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -890.637233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.637233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.375047 (E_RNA)
where:
Base-Base interactions energy: -642.462
where: short stacking energy: -251.906
Base-Backbone interact. energy: 0.338
local terms energy: -253.251772
where:
bonds (distance) C4'-P energy: -44.723
bonds (distance) P-C4' energy: -49.753
flat angles C4'-P-C4' energy: -63.962
flat angles P-C4'-P energy: -43.855
tors. eta vs tors. theta energy: -50.958
Dist. restrs. and SS energy: 4.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1242.484364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.484364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.372167 (E_RNA)
where:
Base-Base interactions energy: -875.608
where: short stacking energy: -350.458
Base-Backbone interact. energy: -2.354
local terms energy: -370.410211
where:
bonds (distance) C4'-P energy: -62.884
bonds (distance) P-C4' energy: -70.585
flat angles C4'-P-C4' energy: -75.374
flat angles P-C4'-P energy: -54.319
tors. eta vs tors. theta energy: -107.248
Dist. restrs. and SS energy: 5.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1190.374348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.374348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.761563 (E_RNA)
where:
Base-Base interactions energy: -819.160
where: short stacking energy: -350.071
Base-Backbone interact. energy: -0.876
local terms energy: -374.725554
where:
bonds (distance) C4'-P energy: -62.369
bonds (distance) P-C4' energy: -76.877
flat angles C4'-P-C4' energy: -80.723
flat angles P-C4'-P energy: -55.064
tors. eta vs tors. theta energy: -99.693
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: 3, replica: 5
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1152.490703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.490703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.113374 (E_RNA)
where:
Base-Base interactions energy: -797.951
where: short stacking energy: -334.046
Base-Backbone interact. energy: -1.204
local terms energy: -357.958998
where:
bonds (distance) C4'-P energy: -63.058
bonds (distance) P-C4' energy: -63.682
flat angles C4'-P-C4' energy: -78.736
flat angles P-C4'-P energy: -49.814
tors. eta vs tors. theta energy: -102.669
Dist. restrs. and SS energy: 4.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1081.611001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.611001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.635166 (E_RNA)
where:
Base-Base interactions energy: -735.069
where: short stacking energy: -298.389
Base-Backbone interact. energy: -2.745
local terms energy: -344.821820
where:
bonds (distance) C4'-P energy: -63.838
bonds (distance) P-C4' energy: -71.891
flat angles C4'-P-C4' energy: -73.410
flat angles P-C4'-P energy: -54.299
tors. eta vs tors. theta energy: -81.384
Dist. restrs. and SS energy: 1.024 (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: 10
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1065.056660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.056660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.675200 (E_RNA)
where:
Base-Base interactions energy: -751.065
where: short stacking energy: -304.272
Base-Backbone interact. energy: -2.815
local terms energy: -315.794921
where:
bonds (distance) C4'-P energy: -52.285
bonds (distance) P-C4' energy: -65.702
flat angles C4'-P-C4' energy: -69.396
flat angles P-C4'-P energy: -51.118
tors. eta vs tors. theta energy: -77.293
Dist. restrs. and SS energy: 4.619 (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: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1003.435666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.435666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.144000 (E_RNA)
where:
Base-Base interactions energy: -699.748
where: short stacking energy: -272.376
Base-Backbone interact. energy: -2.619
local terms energy: -304.776877
where:
bonds (distance) C4'-P energy: -59.435
bonds (distance) P-C4' energy: -66.236
flat angles C4'-P-C4' energy: -59.216
flat angles P-C4'-P energy: -48.675
tors. eta vs tors. theta energy: -71.215
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: 7, replica: 4
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -995.667839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.667839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.306656 (E_RNA)
where:
Base-Base interactions energy: -710.064
where: short stacking energy: -292.995
Base-Backbone interact. energy: -2.043
local terms energy: -292.200309
where:
bonds (distance) C4'-P energy: -55.176
bonds (distance) P-C4' energy: -55.622
flat angles C4'-P-C4' energy: -66.637
flat angles P-C4'-P energy: -38.351
tors. eta vs tors. theta energy: -76.414
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: 8, replica: 1
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -924.556431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.556431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.314862 (E_RNA)
where:
Base-Base interactions energy: -648.077
where: short stacking energy: -262.459
Base-Backbone interact. energy: -0.253
local terms energy: -280.984666
where:
bonds (distance) C4'-P energy: -48.665
bonds (distance) P-C4' energy: -56.809
flat angles C4'-P-C4' energy: -68.291
flat angles P-C4'-P energy: -37.014
tors. eta vs tors. theta energy: -70.206
Dist. restrs. and SS energy: 4.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -898.253412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.253412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.818580 (E_RNA)
where:
Base-Base interactions energy: -644.295
where: short stacking energy: -249.215
Base-Backbone interact. energy: 0.831
local terms energy: -260.354979
where:
bonds (distance) C4'-P energy: -48.851
bonds (distance) P-C4' energy: -60.868
flat angles C4'-P-C4' energy: -58.659
flat angles P-C4'-P energy: -38.910
tors. eta vs tors. theta energy: -53.066
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: 10, replica: 3
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -873.963828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.963828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.601082 (E_RNA)
where:
Base-Base interactions energy: -623.467
where: short stacking energy: -244.201
Base-Backbone interact. energy: -3.303
local terms energy: -252.831667
where:
bonds (distance) C4'-P energy: -61.071
bonds (distance) P-C4' energy: -49.522
flat angles C4'-P-C4' energy: -57.155
flat angles P-C4'-P energy: -34.602
tors. eta vs tors. theta energy: -50.482
Dist. restrs. and SS energy: 5.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1248.543980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.543980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.410582 (E_RNA)
where:
Base-Base interactions energy: -859.288
where: short stacking energy: -373.989
Base-Backbone interact. energy: -3.949
local terms energy: -391.173204
where:
bonds (distance) C4'-P energy: -64.632
bonds (distance) P-C4' energy: -68.287
flat angles C4'-P-C4' energy: -83.654
flat angles P-C4'-P energy: -60.905
tors. eta vs tors. theta energy: -113.695
Dist. restrs. and SS energy: 5.867 (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: 8
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1241.668525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.668525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.777196 (E_RNA)
where:
Base-Base interactions energy: -868.443
where: short stacking energy: -367.722
Base-Backbone interact. energy: -1.400
local terms energy: -374.934320
where:
bonds (distance) C4'-P energy: -64.700
bonds (distance) P-C4' energy: -69.073
flat angles C4'-P-C4' energy: -76.195
flat angles P-C4'-P energy: -58.760
tors. eta vs tors. theta energy: -106.207
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: 5
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1148.896355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.896355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.191173 (E_RNA)
where:
Base-Base interactions energy: -787.669
where: short stacking energy: -334.659
Base-Backbone interact. energy: -1.308
local terms energy: -363.213323
where:
bonds (distance) C4'-P energy: -68.607
bonds (distance) P-C4' energy: -76.858
flat angles C4'-P-C4' energy: -78.176
flat angles P-C4'-P energy: -50.856
tors. eta vs tors. theta energy: -88.717
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: 4, replica: 7
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1083.059042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.059042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.388247 (E_RNA)
where:
Base-Base interactions energy: -733.530
where: short stacking energy: -295.530
Base-Backbone interact. energy: -1.903
local terms energy: -350.954742
where:
bonds (distance) C4'-P energy: -69.137
bonds (distance) P-C4' energy: -66.101
flat angles C4'-P-C4' energy: -80.317
flat angles P-C4'-P energy: -59.074
tors. eta vs tors. theta energy: -76.324
Dist. restrs. and SS energy: 3.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1033.255966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.255966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.918168 (E_RNA)
where:
Base-Base interactions energy: -711.280
where: short stacking energy: -278.841
Base-Backbone interact. energy: -0.779
local terms energy: -324.858766
where:
bonds (distance) C4'-P energy: -64.099
bonds (distance) P-C4' energy: -79.227
flat angles C4'-P-C4' energy: -69.928
flat angles P-C4'-P energy: -39.801
tors. eta vs tors. theta energy: -71.804
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: 6, replica: 10
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1054.945466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.945466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.317173 (E_RNA)
where:
Base-Base interactions energy: -750.678
where: short stacking energy: -307.018
Base-Backbone interact. energy: 2.679
local terms energy: -309.317671
where:
bonds (distance) C4'-P energy: -63.664
bonds (distance) P-C4' energy: -50.701
flat angles C4'-P-C4' energy: -57.737
flat angles P-C4'-P energy: -45.879
tors. eta vs tors. theta energy: -91.337
Dist. restrs. and SS energy: 2.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -971.406538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.406538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.309406 (E_RNA)
where:
Base-Base interactions energy: -672.756
where: short stacking energy: -268.528
Base-Backbone interact. energy: 1.123
local terms energy: -307.676549
where:
bonds (distance) C4'-P energy: -63.656
bonds (distance) P-C4' energy: -56.642
flat angles C4'-P-C4' energy: -68.584
flat angles P-C4'-P energy: -53.043
tors. eta vs tors. theta energy: -65.751
Dist. restrs. and SS energy: 7.903 (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: 4
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -947.836964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.836964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.125622 (E_RNA)
where:
Base-Base interactions energy: -648.794
where: short stacking energy: -267.720
Base-Backbone interact. energy: -1.146
local terms energy: -303.184809
where:
bonds (distance) C4'-P energy: -69.903
bonds (distance) P-C4' energy: -48.126
flat angles C4'-P-C4' energy: -67.961
flat angles P-C4'-P energy: -46.736
tors. eta vs tors. theta energy: -70.458
Dist. restrs. and SS energy: 5.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -901.042172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.042172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.258026 (E_RNA)
where:
Base-Base interactions energy: -639.542
where: short stacking energy: -246.709
Base-Backbone interact. energy: -0.804
local terms energy: -264.911479
where:
bonds (distance) C4'-P energy: -47.458
bonds (distance) P-C4' energy: -65.649
flat angles C4'-P-C4' energy: -50.689
flat angles P-C4'-P energy: -45.790
tors. eta vs tors. theta energy: -55.326
Dist. restrs. and SS energy: 4.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -838.645481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.645481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.074068 (E_RNA)
where:
Base-Base interactions energy: -586.273
where: short stacking energy: -217.749
Base-Backbone interact. energy: -0.585
local terms energy: -259.216245
where:
bonds (distance) C4'-P energy: -52.739
bonds (distance) P-C4' energy: -57.119
flat angles C4'-P-C4' energy: -62.775
flat angles P-C4'-P energy: -33.249
tors. eta vs tors. theta energy: -53.335
Dist. restrs. and SS energy: 7.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1263.771512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.771512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.377015 (E_RNA)
where:
Base-Base interactions energy: -878.957
where: short stacking energy: -380.010
Base-Backbone interact. energy: -2.133
local terms energy: -389.286467
where:
bonds (distance) C4'-P energy: -73.845
bonds (distance) P-C4' energy: -77.982
flat angles C4'-P-C4' energy: -78.840
flat angles P-C4'-P energy: -52.562
tors. eta vs tors. theta energy: -106.057
Dist. restrs. and SS energy: 6.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1222.715182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.715182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.518335 (E_RNA)
where:
Base-Base interactions energy: -848.773
where: short stacking energy: -349.401
Base-Backbone interact. energy: -1.619
local terms energy: -375.126793
where:
bonds (distance) C4'-P energy: -64.307
bonds (distance) P-C4' energy: -71.483
flat angles C4'-P-C4' energy: -85.142
flat angles P-C4'-P energy: -53.398
tors. eta vs tors. theta energy: -100.797
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: 3, replica: 5
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1139.845152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.845152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.269024 (E_RNA)
where:
Base-Base interactions energy: -802.392
where: short stacking energy: -323.947
Base-Backbone interact. energy: -2.512
local terms energy: -339.365132
where:
bonds (distance) C4'-P energy: -69.500
bonds (distance) P-C4' energy: -66.889
flat angles C4'-P-C4' energy: -66.763
flat angles P-C4'-P energy: -50.961
tors. eta vs tors. theta energy: -85.252
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: 4, replica: 6
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1093.586215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.586215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.521038 (E_RNA)
where:
Base-Base interactions energy: -768.951
where: short stacking energy: -300.345
Base-Backbone interact. energy: -0.583
local terms energy: -328.987287
where:
bonds (distance) C4'-P energy: -60.298
bonds (distance) P-C4' energy: -61.200
flat angles C4'-P-C4' energy: -82.397
flat angles P-C4'-P energy: -41.037
tors. eta vs tors. theta energy: -84.055
Dist. restrs. and SS energy: 4.935 (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: 7
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1059.372249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.372249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.063552 (E_RNA)
where:
Base-Base interactions energy: -732.852
where: short stacking energy: -293.253
Base-Backbone interact. energy: -0.206
local terms energy: -328.005964
where:
bonds (distance) C4'-P energy: -62.200
bonds (distance) P-C4' energy: -67.485
flat angles C4'-P-C4' energy: -72.034
flat angles P-C4'-P energy: -41.797
tors. eta vs tors. theta energy: -84.490
Dist. restrs. and SS energy: 1.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1047.385507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.385507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.250110 (E_RNA)
where:
Base-Base interactions energy: -736.514
where: short stacking energy: -313.684
Base-Backbone interact. energy: -3.568
local terms energy: -311.167793
where:
bonds (distance) C4'-P energy: -51.355
bonds (distance) P-C4' energy: -61.114
flat angles C4'-P-C4' energy: -68.832
flat angles P-C4'-P energy: -45.014
tors. eta vs tors. theta energy: -84.853
Dist. restrs. and SS energy: 3.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -974.632868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.632868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.406784 (E_RNA)
where:
Base-Base interactions energy: -672.777
where: short stacking energy: -274.246
Base-Backbone interact. energy: -1.606
local terms energy: -313.023501
where:
bonds (distance) C4'-P energy: -63.590
bonds (distance) P-C4' energy: -75.767
flat angles C4'-P-C4' energy: -64.168
flat angles P-C4'-P energy: -40.049
tors. eta vs tors. theta energy: -69.449
Dist. restrs. and SS energy: 12.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -940.144425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.144425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.288332 (E_RNA)
where:
Base-Base interactions energy: -648.568
where: short stacking energy: -278.340
Base-Backbone interact. energy: -1.338
local terms energy: -299.382211
where:
bonds (distance) C4'-P energy: -59.413
bonds (distance) P-C4' energy: -63.439
flat angles C4'-P-C4' energy: -58.535
flat angles P-C4'-P energy: -39.023
tors. eta vs tors. theta energy: -78.971
Dist. restrs. and SS energy: 9.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -911.389374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.389374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.491049 (E_RNA)
where:
Base-Base interactions energy: -650.276
where: short stacking energy: -265.809
Base-Backbone interact. energy: -1.921
local terms energy: -261.293387
where:
bonds (distance) C4'-P energy: -52.528
bonds (distance) P-C4' energy: -60.327
flat angles C4'-P-C4' energy: -47.269
flat angles P-C4'-P energy: -29.424
tors. eta vs tors. theta energy: -71.745
Dist. restrs. and SS energy: 2.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -867.181853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.181853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.620782 (E_RNA)
where:
Base-Base interactions energy: -620.851
where: short stacking energy: -228.795
Base-Backbone interact. energy: -1.123
local terms energy: -249.647103
where:
bonds (distance) C4'-P energy: -53.687
bonds (distance) P-C4' energy: -51.877
flat angles C4'-P-C4' energy: -57.400
flat angles P-C4'-P energy: -21.691
tors. eta vs tors. theta energy: -64.992
Dist. restrs. and SS energy: 4.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1244.567732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.567732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.745672 (E_RNA)
where:
Base-Base interactions energy: -864.283
where: short stacking energy: -361.667
Base-Backbone interact. energy: -3.566
local terms energy: -379.897060
where:
bonds (distance) C4'-P energy: -79.646
bonds (distance) P-C4' energy: -67.884
flat angles C4'-P-C4' energy: -73.705
flat angles P-C4'-P energy: -54.710
tors. eta vs tors. theta energy: -103.952
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: 2, replica: 9
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1203.251876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.251876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.198321 (E_RNA)
where:
Base-Base interactions energy: -832.721
where: short stacking energy: -354.367
Base-Backbone interact. energy: -0.146
local terms energy: -377.330376
where:
bonds (distance) C4'-P energy: -66.750
bonds (distance) P-C4' energy: -74.460
flat angles C4'-P-C4' energy: -81.953
flat angles P-C4'-P energy: -55.545
tors. eta vs tors. theta energy: -98.622
Dist. restrs. and SS energy: 6.946 (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: 6
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1155.805899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.805899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.821909 (E_RNA)
where:
Base-Base interactions energy: -807.191
where: short stacking energy: -326.890
Base-Backbone interact. energy: -0.627
local terms energy: -353.004407
where:
bonds (distance) C4'-P energy: -56.606
bonds (distance) P-C4' energy: -63.285
flat angles C4'-P-C4' energy: -78.247
flat angles P-C4'-P energy: -56.768
tors. eta vs tors. theta energy: -98.100
Dist. restrs. and SS energy: 5.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1102.796454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.796454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.877299 (E_RNA)
where:
Base-Base interactions energy: -760.269
where: short stacking energy: -306.788
Base-Backbone interact. energy: -0.827
local terms energy: -344.781322
where:
bonds (distance) C4'-P energy: -63.508
bonds (distance) P-C4' energy: -74.009
flat angles C4'-P-C4' energy: -69.591
flat angles P-C4'-P energy: -46.023
tors. eta vs tors. theta energy: -91.651
Dist. restrs. and SS energy: 3.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1071.968377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.968377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.353692 (E_RNA)
where:
Base-Base interactions energy: -737.579
where: short stacking energy: -305.525
Base-Backbone interact. energy: -0.997
local terms energy: -336.778097
where:
bonds (distance) C4'-P energy: -62.942
bonds (distance) P-C4' energy: -64.356
flat angles C4'-P-C4' energy: -72.993
flat angles P-C4'-P energy: -51.416
tors. eta vs tors. theta energy: -85.072
Dist. restrs. and SS energy: 3.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1038.077755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.077755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.663245 (E_RNA)
where:
Base-Base interactions energy: -712.763
where: short stacking energy: -279.363
Base-Backbone interact. energy: -0.043
local terms energy: -326.857640
where:
bonds (distance) C4'-P energy: -62.734
bonds (distance) P-C4' energy: -65.404
flat angles C4'-P-C4' energy: -75.813
flat angles P-C4'-P energy: -36.993
tors. eta vs tors. theta energy: -85.914
Dist. restrs. and SS energy: 1.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -980.660298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.660298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.888158 (E_RNA)
where:
Base-Base interactions energy: -678.971
where: short stacking energy: -277.219
Base-Backbone interact. energy: -2.611
local terms energy: -306.306651
where:
bonds (distance) C4'-P energy: -64.919
bonds (distance) P-C4' energy: -62.396
flat angles C4'-P-C4' energy: -64.946
flat angles P-C4'-P energy: -44.279
tors. eta vs tors. theta energy: -69.767
Dist. restrs. and SS energy: 7.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -960.369924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.369924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.867798 (E_RNA)
where:
Base-Base interactions energy: -672.035
where: short stacking energy: -272.685
Base-Backbone interact. energy: -0.565
local terms energy: -294.267424
where:
bonds (distance) C4'-P energy: -45.413
bonds (distance) P-C4' energy: -67.687
flat angles C4'-P-C4' energy: -68.968
flat angles P-C4'-P energy: -46.687
tors. eta vs tors. theta energy: -65.512
Dist. restrs. and SS energy: 6.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -942.140325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.140325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.886382 (E_RNA)
where:
Base-Base interactions energy: -647.070
where: short stacking energy: -251.650
Base-Backbone interact. energy: 5.353
local terms energy: -304.169107
where:
bonds (distance) C4'-P energy: -48.870
bonds (distance) P-C4' energy: -59.334
flat angles C4'-P-C4' energy: -78.509
flat angles P-C4'-P energy: -50.588
tors. eta vs tors. theta energy: -66.867
Dist. restrs. and SS energy: 3.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -878.770163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.770163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.165863 (E_RNA)
where:
Base-Base interactions energy: -624.872
where: short stacking energy: -253.327
Base-Backbone interact. energy: 4.497
local terms energy: -262.790877
where:
bonds (distance) C4'-P energy: -47.220
bonds (distance) P-C4' energy: -54.246
flat angles C4'-P-C4' energy: -54.813
flat angles P-C4'-P energy: -45.471
tors. eta vs tors. theta energy: -61.041
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: 1, replica: 8
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1242.639006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.639006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.819583 (E_RNA)
where:
Base-Base interactions energy: -860.894
where: short stacking energy: -355.605
Base-Backbone interact. energy: -1.704
local terms energy: -383.221890
where:
bonds (distance) C4'-P energy: -65.322
bonds (distance) P-C4' energy: -80.143
flat angles C4'-P-C4' energy: -73.779
flat angles P-C4'-P energy: -55.741
tors. eta vs tors. theta energy: -108.238
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: 9
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1234.033319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.033319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.422208 (E_RNA)
where:
Base-Base interactions energy: -859.752
where: short stacking energy: -356.877
Base-Backbone interact. energy: -2.759
local terms energy: -375.911290
where:
bonds (distance) C4'-P energy: -69.009
bonds (distance) P-C4' energy: -65.532
flat angles C4'-P-C4' energy: -80.249
flat angles P-C4'-P energy: -54.539
tors. eta vs tors. theta energy: -106.582
Dist. restrs. and SS energy: 4.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1136.583328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.583328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.826566 (E_RNA)
where:
Base-Base interactions energy: -817.376
where: short stacking energy: -357.972
Base-Backbone interact. energy: -1.222
local terms energy: -320.228093
where:
bonds (distance) C4'-P energy: -33.374
bonds (distance) P-C4' energy: -62.640
flat angles C4'-P-C4' energy: -80.400
flat angles P-C4'-P energy: -43.323
tors. eta vs tors. theta energy: -100.491
Dist. restrs. and SS energy: 2.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1111.557553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.557553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.860872 (E_RNA)
where:
Base-Base interactions energy: -787.837
where: short stacking energy: -315.741
Base-Backbone interact. energy: -1.823
local terms energy: -326.200100
where:
bonds (distance) C4'-P energy: -53.559
bonds (distance) P-C4' energy: -70.071
flat angles C4'-P-C4' energy: -79.100
flat angles P-C4'-P energy: -34.329
tors. eta vs tors. theta energy: -89.140
Dist. restrs. and SS energy: 4.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1088.913966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.913966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.160322 (E_RNA)
where:
Base-Base interactions energy: -765.623
where: short stacking energy: -306.002
Base-Backbone interact. energy: -1.691
local terms energy: -323.845882
where:
bonds (distance) C4'-P energy: -54.110
bonds (distance) P-C4' energy: -66.276
flat angles C4'-P-C4' energy: -68.158
flat angles P-C4'-P energy: -57.843
tors. eta vs tors. theta energy: -77.459
Dist. restrs. and SS energy: 2.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1029.076058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.076058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.076668 (E_RNA)
where:
Base-Base interactions energy: -719.470
where: short stacking energy: -294.021
Base-Backbone interact. energy: 0.265
local terms energy: -310.871501
where:
bonds (distance) C4'-P energy: -58.148
bonds (distance) P-C4' energy: -63.403
flat angles C4'-P-C4' energy: -63.023
flat angles P-C4'-P energy: -46.848
tors. eta vs tors. theta energy: -79.451
Dist. restrs. and SS energy: 1.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -998.765883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.765883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.635568 (E_RNA)
where:
Base-Base interactions energy: -709.011
where: short stacking energy: -286.036
Base-Backbone interact. energy: -2.225
local terms energy: -294.398860
where:
bonds (distance) C4'-P energy: -44.561
bonds (distance) P-C4' energy: -59.402
flat angles C4'-P-C4' energy: -69.608
flat angles P-C4'-P energy: -42.495
tors. eta vs tors. theta energy: -78.333
Dist. restrs. and SS energy: 6.870 (S_DIST_RNA)
chem. 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: -939.049597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.049597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.638988 (E_RNA)
where:
Base-Base interactions energy: -653.157
where: short stacking energy: -257.955
Base-Backbone interact. energy: 0.945
local terms energy: -288.427258
where:
bonds (distance) C4'-P energy: -64.829
bonds (distance) P-C4' energy: -64.578
flat angles C4'-P-C4' energy: -55.934
flat angles P-C4'-P energy: -43.616
tors. eta vs tors. theta energy: -59.471
Dist. restrs. and SS energy: 1.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -956.160932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.160932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.134752 (E_RNA)
where:
Base-Base interactions energy: -664.477
where: short stacking energy: -260.352
Base-Backbone interact. energy: -0.094
local terms energy: -294.563524
where:
bonds (distance) C4'-P energy: -56.785
bonds (distance) P-C4' energy: -58.866
flat angles C4'-P-C4' energy: -65.109
flat angles P-C4'-P energy: -46.480
tors. eta vs tors. theta energy: -67.323
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: 10, replica: 2
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -868.792951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.792951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.656491 (E_RNA)
where:
Base-Base interactions energy: -626.574
where: short stacking energy: -245.542
Base-Backbone interact. energy: 0.174
local terms energy: -249.255773
where:
bonds (distance) C4'-P energy: -49.148
bonds (distance) P-C4' energy: -54.471
flat angles C4'-P-C4' energy: -58.915
flat angles P-C4'-P energy: -28.149
tors. eta vs tors. theta energy: -58.573
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: 1, replica: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1240.395864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.395864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.307271 (E_RNA)
where:
Base-Base interactions energy: -869.152
where: short stacking energy: -344.021
Base-Backbone interact. energy: -0.606
local terms energy: -374.549573
where:
bonds (distance) C4'-P energy: -62.698
bonds (distance) P-C4' energy: -72.940
flat angles C4'-P-C4' energy: -81.339
flat angles P-C4'-P energy: -50.925
tors. eta vs tors. theta energy: -106.647
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: 8
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1226.060557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.060557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.008101 (E_RNA)
where:
Base-Base interactions energy: -845.713
where: short stacking energy: -344.034
Base-Backbone interact. energy: -1.135
local terms energy: -383.160752
where:
bonds (distance) C4'-P energy: -70.825
bonds (distance) P-C4' energy: -67.754
flat angles C4'-P-C4' energy: -81.724
flat angles P-C4'-P energy: -60.017
tors. eta vs tors. theta energy: -102.840
Dist. restrs. and SS energy: 3.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1163.981599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.981599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.008191 (E_RNA)
where:
Base-Base interactions energy: -824.057
where: short stacking energy: -342.938
Base-Backbone interact. energy: -4.590
local terms energy: -339.360694
where:
bonds (distance) C4'-P energy: -65.690
bonds (distance) P-C4' energy: -68.065
flat angles C4'-P-C4' energy: -71.358
flat angles P-C4'-P energy: -43.915
tors. eta vs tors. theta energy: -90.333
Dist. restrs. and SS energy: 4.027 (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: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1097.596812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.596812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.125800 (E_RNA)
where:
Base-Base interactions energy: -756.904
where: short stacking energy: -303.208
Base-Backbone interact. energy: -3.011
local terms energy: -340.211232
where:
bonds (distance) C4'-P energy: -67.282
bonds (distance) P-C4' energy: -69.776
flat angles C4'-P-C4' energy: -70.795
flat angles P-C4'-P energy: -46.553
tors. eta vs tors. theta energy: -85.806
Dist. restrs. and SS energy: 2.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1077.326791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.326791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.429833 (E_RNA)
where:
Base-Base interactions energy: -754.244
where: short stacking energy: -299.852
Base-Backbone interact. energy: -2.004
local terms energy: -325.181514
where:
bonds (distance) C4'-P energy: -60.715
bonds (distance) P-C4' energy: -55.430
flat angles C4'-P-C4' energy: -71.339
flat angles P-C4'-P energy: -53.746
tors. eta vs tors. theta energy: -83.951
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: 6, replica: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1033.606354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.606354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.458273 (E_RNA)
where:
Base-Base interactions energy: -709.400
where: short stacking energy: -292.379
Base-Backbone interact. energy: -3.036
local terms energy: -325.022564
where:
bonds (distance) C4'-P energy: -63.199
bonds (distance) P-C4' energy: -68.513
flat angles C4'-P-C4' energy: -73.283
flat angles P-C4'-P energy: -38.977
tors. eta vs tors. theta energy: -81.051
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: 7, replica: 4
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -974.996144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.996144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.545970 (E_RNA)
where:
Base-Base interactions energy: -694.604
where: short stacking energy: -264.096
Base-Backbone interact. energy: 0.328
local terms energy: -287.270891
where:
bonds (distance) C4'-P energy: -49.314
bonds (distance) P-C4' energy: -66.898
flat angles C4'-P-C4' energy: -62.831
flat angles P-C4'-P energy: -36.606
tors. eta vs tors. theta energy: -71.622
Dist. restrs. and SS energy: 6.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -947.210870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.210870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.143860 (E_RNA)
where:
Base-Base interactions energy: -675.075
where: short stacking energy: -249.375
Base-Backbone interact. energy: 2.040
local terms energy: -279.108898
where:
bonds (distance) C4'-P energy: -61.717
bonds (distance) P-C4' energy: -55.836
flat angles C4'-P-C4' energy: -58.874
flat angles P-C4'-P energy: -43.840
tors. eta vs tors. theta energy: -58.842
Dist. restrs. and SS energy: 4.933 (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: 3
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -975.615931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.615931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.403762 (E_RNA)
where:
Base-Base interactions energy: -700.230
where: short stacking energy: -281.607
Base-Backbone interact. energy: -0.888
local terms energy: -278.285588
where:
bonds (distance) C4'-P energy: -52.798
bonds (distance) P-C4' energy: -39.790
flat angles C4'-P-C4' energy: -67.819
flat angles P-C4'-P energy: -45.337
tors. eta vs tors. theta energy: -72.542
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: 10, replica: 2
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -879.974209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.974209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.179695 (E_RNA)
where:
Base-Base interactions energy: -623.848
where: short stacking energy: -242.686
Base-Backbone interact. energy: -2.237
local terms energy: -263.094762
where:
bonds (distance) C4'-P energy: -43.495
bonds (distance) P-C4' energy: -65.046
flat angles C4'-P-C4' energy: -60.878
flat angles P-C4'-P energy: -31.876
tors. eta vs tors. theta energy: -61.800
Dist. restrs. and SS energy: 9.205 (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: 9
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1247.914596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.914596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.546775 (E_RNA)
where:
Base-Base interactions energy: -871.965
where: short stacking energy: -344.425
Base-Backbone interact. energy: -2.621
local terms energy: -376.960576
where:
bonds (distance) C4'-P energy: -73.527
bonds (distance) P-C4' energy: -71.511
flat angles C4'-P-C4' energy: -80.353
flat angles P-C4'-P energy: -49.562
tors. eta vs tors. theta energy: -102.008
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: 2, replica: 6
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1199.667499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.667499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.979184 (E_RNA)
where:
Base-Base interactions energy: -835.961
where: short stacking energy: -347.762
Base-Backbone interact. energy: -2.225
local terms energy: -366.793497
where:
bonds (distance) C4'-P energy: -76.373
bonds (distance) P-C4' energy: -64.293
flat angles C4'-P-C4' energy: -73.788
flat angles P-C4'-P energy: -51.243
tors. eta vs tors. theta energy: -101.096
Dist. restrs. and SS energy: 5.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1183.583833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.583833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.023474 (E_RNA)
where:
Base-Base interactions energy: -829.821
where: short stacking energy: -329.818
Base-Backbone interact. energy: -3.839
local terms energy: -353.363244
where:
bonds (distance) C4'-P energy: -59.077
bonds (distance) P-C4' energy: -64.378
flat angles C4'-P-C4' energy: -81.629
flat angles P-C4'-P energy: -52.333
tors. eta vs tors. theta energy: -95.947
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: 4, replica: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1129.602252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.602252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.889099 (E_RNA)
where:
Base-Base interactions energy: -781.825
where: short stacking energy: -324.069
Base-Backbone interact. energy: -1.201
local terms energy: -349.863189
where:
bonds (distance) C4'-P energy: -66.828
bonds (distance) P-C4' energy: -65.218
flat angles C4'-P-C4' energy: -76.173
flat angles P-C4'-P energy: -45.529
tors. eta vs tors. theta energy: -96.116
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: 5, replica: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1082.286630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.286630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.588265 (E_RNA)
where:
Base-Base interactions energy: -750.551
where: short stacking energy: -307.459
Base-Backbone interact. energy: -2.202
local terms energy: -331.835757
where:
bonds (distance) C4'-P energy: -56.006
bonds (distance) P-C4' energy: -65.297
flat angles C4'-P-C4' energy: -74.297
flat angles P-C4'-P energy: -48.678
tors. eta vs tors. theta energy: -87.559
Dist. restrs. and SS energy: 2.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1046.278369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.278369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.188355 (E_RNA)
where:
Base-Base interactions energy: -722.258
where: short stacking energy: -306.461
Base-Backbone interact. energy: -2.808
local terms energy: -326.122303
where:
bonds (distance) C4'-P energy: -60.499
bonds (distance) P-C4' energy: -57.959
flat angles C4'-P-C4' energy: -63.843
flat angles P-C4'-P energy: -53.301
tors. eta vs tors. theta energy: -90.520
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: 7, replica: 4
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -993.976234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.976234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.845439 (E_RNA)
where:
Base-Base interactions energy: -677.571
where: short stacking energy: -292.339
Base-Backbone interact. energy: 1.415
local terms energy: -323.688829
where:
bonds (distance) C4'-P energy: -66.026
bonds (distance) P-C4' energy: -59.144
flat angles C4'-P-C4' energy: -72.375
flat angles P-C4'-P energy: -51.918
tors. eta vs tors. theta energy: -74.226
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: 8, replica: 3
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -984.702415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.702415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.316878 (E_RNA)
where:
Base-Base interactions energy: -676.845
where: short stacking energy: -271.716
Base-Backbone interact. energy: -2.291
local terms energy: -309.180461
where:
bonds (distance) C4'-P energy: -60.922
bonds (distance) P-C4' energy: -67.017
flat angles C4'-P-C4' energy: -76.253
flat angles P-C4'-P energy: -38.136
tors. eta vs tors. theta energy: -66.852
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: 9, replica: 1
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -917.821303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.821303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.297339 (E_RNA)
where:
Base-Base interactions energy: -646.050
where: short stacking energy: -256.860
Base-Backbone interact. energy: 0.428
local terms energy: -280.674752
where:
bonds (distance) C4'-P energy: -49.328
bonds (distance) P-C4' energy: -65.952
flat angles C4'-P-C4' energy: -59.365
flat angles P-C4'-P energy: -43.961
tors. eta vs tors. theta energy: -62.068
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: 2
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -881.529949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.529949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.148606 (E_RNA)
where:
Base-Base interactions energy: -614.328
where: short stacking energy: -237.206
Base-Backbone interact. energy: -2.327
local terms energy: -269.493568
where:
bonds (distance) C4'-P energy: -48.599
bonds (distance) P-C4' energy: -56.367
flat angles C4'-P-C4' energy: -61.413
flat angles P-C4'-P energy: -45.102
tors. eta vs tors. theta energy: -58.012
Dist. restrs. and SS energy: 4.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1221.975564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.975564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.187879 (E_RNA)
where:
Base-Base interactions energy: -843.671
where: short stacking energy: -338.375
Base-Backbone interact. energy: -0.376
local terms energy: -383.141104
where:
bonds (distance) C4'-P energy: -76.631
bonds (distance) P-C4' energy: -69.696
flat angles C4'-P-C4' energy: -79.799
flat angles P-C4'-P energy: -51.347
tors. eta vs tors. theta energy: -105.668
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: 2, replica: 6
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1184.975931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.975931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.365419 (E_RNA)
where:
Base-Base interactions energy: -813.204
where: short stacking energy: -348.118
Base-Backbone interact. energy: -3.142
local terms energy: -372.019502
where:
bonds (distance) C4'-P energy: -74.624
bonds (distance) P-C4' energy: -58.392
flat angles C4'-P-C4' energy: -79.051
flat angles P-C4'-P energy: -56.069
tors. eta vs tors. theta energy: -103.883
Dist. restrs. and SS energy: 3.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1164.172432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.172432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.566910 (E_RNA)
where:
Base-Base interactions energy: -805.785
where: short stacking energy: -317.946
Base-Backbone interact. energy: -0.577
local terms energy: -360.205228
where:
bonds (distance) C4'-P energy: -70.658
bonds (distance) P-C4' energy: -63.440
flat angles C4'-P-C4' energy: -75.776
flat angles P-C4'-P energy: -54.632
tors. eta vs tors. theta energy: -95.700
Dist. restrs. and SS energy: 2.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1106.953904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.953904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.555311 (E_RNA)
where:
Base-Base interactions energy: -774.245
where: short stacking energy: -310.492
Base-Backbone interact. energy: -1.277
local terms energy: -334.033177
where:
bonds (distance) C4'-P energy: -57.892
bonds (distance) P-C4' energy: -66.302
flat angles C4'-P-C4' energy: -78.237
flat angles P-C4'-P energy: -49.488
tors. eta vs tors. theta energy: -82.114
Dist. restrs. and SS energy: 2.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1065.898868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.898868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.228907 (E_RNA)
where:
Base-Base interactions energy: -744.078
where: short stacking energy: -313.714
Base-Backbone interact. energy: -0.096
local terms energy: -326.055531
where:
bonds (distance) C4'-P energy: -65.292
bonds (distance) P-C4' energy: -57.257
flat angles C4'-P-C4' energy: -73.325
flat angles P-C4'-P energy: -41.440
tors. eta vs tors. theta energy: -88.742
Dist. restrs. and SS energy: 4.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1027.327143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.327143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.699494 (E_RNA)
where:
Base-Base interactions energy: -706.586
where: short stacking energy: -273.023
Base-Backbone interact. energy: 1.611
local terms energy: -325.725067
where:
bonds (distance) C4'-P energy: -69.497
bonds (distance) P-C4' energy: -63.607
flat angles C4'-P-C4' energy: -67.602
flat angles P-C4'-P energy: -44.372
tors. eta vs tors. theta energy: -80.647
Dist. restrs. and SS energy: 3.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -967.609733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.609733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.910903 (E_RNA)
where:
Base-Base interactions energy: -682.670
where: short stacking energy: -274.719
Base-Backbone interact. energy: -0.245
local terms energy: -288.995582
where:
bonds (distance) C4'-P energy: -57.495
bonds (distance) P-C4' energy: -59.182
flat angles C4'-P-C4' energy: -59.980
flat angles P-C4'-P energy: -38.829
tors. eta vs tors. theta energy: -73.510
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: 8, replica: 4
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -941.128906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.128906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.145266 (E_RNA)
where:
Base-Base interactions energy: -649.770
where: short stacking energy: -263.553
Base-Backbone interact. energy: 0.787
local terms energy: -302.162277
where:
bonds (distance) C4'-P energy: -57.163
bonds (distance) P-C4' energy: -66.330
flat angles C4'-P-C4' energy: -63.508
flat angles P-C4'-P energy: -44.481
tors. eta vs tors. theta energy: -70.680
Dist. restrs. and SS energy: 10.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -912.975630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.975630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.602933 (E_RNA)
where:
Base-Base interactions energy: -634.068
where: short stacking energy: -258.877
Base-Backbone interact. energy: -1.126
local terms energy: -282.408644
where:
bonds (distance) C4'-P energy: -64.721
bonds (distance) P-C4' energy: -57.590
flat angles C4'-P-C4' energy: -62.629
flat angles P-C4'-P energy: -39.060
tors. eta vs tors. theta energy: -58.408
Dist. restrs. and SS energy: 4.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -872.064770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.064770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.467995 (E_RNA)
where:
Base-Base interactions energy: -637.271
where: short stacking energy: -242.610
Base-Backbone interact. energy: 2.062
local terms energy: -242.259532
where:
bonds (distance) C4'-P energy: -40.637
bonds (distance) P-C4' energy: -58.354
flat angles C4'-P-C4' energy: -48.377
flat angles P-C4'-P energy: -30.854
tors. eta vs tors. theta energy: -64.038
Dist. restrs. and SS energy: 5.403 (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: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1261.611420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.611420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.265249 (E_RNA)
where:
Base-Base interactions energy: -871.862
where: short stacking energy: -359.949
Base-Backbone interact. energy: -2.205
local terms energy: -392.198916
where:
bonds (distance) C4'-P energy: -66.114
bonds (distance) P-C4' energy: -72.049
flat angles C4'-P-C4' energy: -84.342
flat angles P-C4'-P energy: -60.092
tors. eta vs tors. theta energy: -109.602
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: 2, replica: 6
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1170.570662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.570662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.255280 (E_RNA)
where:
Base-Base interactions energy: -824.809
where: short stacking energy: -332.940
Base-Backbone interact. energy: 3.181
local terms energy: -352.627383
where:
bonds (distance) C4'-P energy: -54.260
bonds (distance) P-C4' energy: -71.239
flat angles C4'-P-C4' energy: -77.107
flat angles P-C4'-P energy: -57.201
tors. eta vs tors. theta energy: -92.821
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: 3, replica: 8
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1175.783908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.783908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.601628 (E_RNA)
where:
Base-Base interactions energy: -808.519
where: short stacking energy: -317.742
Base-Backbone interact. energy: 0.836
local terms energy: -371.917869
where:
bonds (distance) C4'-P energy: -79.240
bonds (distance) P-C4' energy: -67.534
flat angles C4'-P-C4' energy: -80.734
flat angles P-C4'-P energy: -42.547
tors. eta vs tors. theta energy: -101.863
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: 4, replica: 10
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1120.369170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.369170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.604449 (E_RNA)
where:
Base-Base interactions energy: -783.389
where: short stacking energy: -319.359
Base-Backbone interact. energy: -0.492
local terms energy: -339.723560
where:
bonds (distance) C4'-P energy: -58.293
bonds (distance) P-C4' energy: -67.368
flat angles C4'-P-C4' energy: -69.104
flat angles P-C4'-P energy: -56.456
tors. eta vs tors. theta energy: -88.502
Dist. restrs. and SS energy: 3.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1079.362573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.362573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.362143 (E_RNA)
where:
Base-Base interactions energy: -751.641
where: short stacking energy: -312.346
Base-Backbone interact. energy: -1.425
local terms energy: -329.296204
where:
bonds (distance) C4'-P energy: -63.696
bonds (distance) P-C4' energy: -60.589
flat angles C4'-P-C4' energy: -71.053
flat angles P-C4'-P energy: -41.584
tors. eta vs tors. theta energy: -92.375
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: 7
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1041.044624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.044624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.536447 (E_RNA)
where:
Base-Base interactions energy: -728.495
where: short stacking energy: -287.874
Base-Backbone interact. energy: -1.774
local terms energy: -315.267892
where:
bonds (distance) C4'-P energy: -56.124
bonds (distance) P-C4' energy: -58.499
flat angles C4'-P-C4' energy: -68.713
flat angles P-C4'-P energy: -52.002
tors. eta vs tors. theta energy: -79.930
Dist. restrs. and SS energy: 4.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -994.611058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.611058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.864376 (E_RNA)
where:
Base-Base interactions energy: -706.232
where: short stacking energy: -286.613
Base-Backbone interact. energy: -1.129
local terms energy: -293.503197
where:
bonds (distance) C4'-P energy: -60.486
bonds (distance) P-C4' energy: -54.808
flat angles C4'-P-C4' energy: -67.279
flat angles P-C4'-P energy: -34.854
tors. eta vs tors. theta energy: -76.077
Dist. restrs. and SS energy: 6.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -944.521228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.521228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.404572 (E_RNA)
where:
Base-Base interactions energy: -668.556
where: short stacking energy: -254.006
Base-Backbone interact. energy: -1.565
local terms energy: -278.283298
where:
bonds (distance) C4'-P energy: -57.547
bonds (distance) P-C4' energy: -53.760
flat angles C4'-P-C4' energy: -69.120
flat angles P-C4'-P energy: -44.899
tors. eta vs tors. theta energy: -52.957
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: 9, replica: 4
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -939.430741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.430741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.468265 (E_RNA)
where:
Base-Base interactions energy: -677.483
where: short stacking energy: -275.430
Base-Backbone interact. energy: 1.205
local terms energy: -264.190528
where:
bonds (distance) C4'-P energy: -38.917
bonds (distance) P-C4' energy: -61.714
flat angles C4'-P-C4' energy: -53.829
flat angles P-C4'-P energy: -34.020
tors. eta vs tors. theta energy: -75.711
Dist. restrs. and SS energy: 1.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -919.031145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.031145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.737020 (E_RNA)
where:
Base-Base interactions energy: -669.940
where: short stacking energy: -257.211
Base-Backbone interact. energy: 8.055
local terms energy: -264.851695
where:
bonds (distance) C4'-P energy: -57.324
bonds (distance) P-C4' energy: -50.475
flat angles C4'-P-C4' energy: -56.234
flat angles P-C4'-P energy: -34.562
tors. eta vs tors. theta energy: -66.257
Dist. restrs. and SS energy: 7.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1258.324315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.324315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.572101 (E_RNA)
where:
Base-Base interactions energy: -890.852
where: short stacking energy: -350.807
Base-Backbone interact. energy: 1.060
local terms energy: -372.780185
where:
bonds (distance) C4'-P energy: -73.146
bonds (distance) P-C4' energy: -66.217
flat angles C4'-P-C4' energy: -73.906
flat angles P-C4'-P energy: -56.705
tors. eta vs tors. theta energy: -102.806
Dist. restrs. and SS energy: 4.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1196.293806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.293806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.760742 (E_RNA)
where:
Base-Base interactions energy: -822.867
where: short stacking energy: -344.755
Base-Backbone interact. energy: -1.199
local terms energy: -374.695162
where:
bonds (distance) C4'-P energy: -73.071
bonds (distance) P-C4' energy: -74.851
flat angles C4'-P-C4' energy: -75.560
flat angles P-C4'-P energy: -52.119
tors. eta vs tors. theta energy: -99.095
Dist. restrs. and SS energy: 2.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1167.934236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.934236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.315966 (E_RNA)
where:
Base-Base interactions energy: -805.539
where: short stacking energy: -314.449
Base-Backbone interact. energy: -1.645
local terms energy: -365.132554
where:
bonds (distance) C4'-P energy: -76.459
bonds (distance) P-C4' energy: -70.291
flat angles C4'-P-C4' energy: -81.014
flat angles P-C4'-P energy: -49.375
tors. eta vs tors. theta energy: -87.994
Dist. restrs. and SS energy: 4.382 (S_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: 136
Temperature: 1.050000
Total energy: -1149.082718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.082718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.435062 (E_RNA)
where:
Base-Base interactions energy: -796.867
where: short stacking energy: -322.600
Base-Backbone interact. energy: 0.181
local terms energy: -355.749364
where:
bonds (distance) C4'-P energy: -62.976
bonds (distance) P-C4' energy: -66.370
flat angles C4'-P-C4' energy: -75.517
flat angles P-C4'-P energy: -57.111
tors. eta vs tors. theta energy: -93.777
Dist. restrs. and SS energy: 3.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1064.428962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.428962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.672175 (E_RNA)
where:
Base-Base interactions energy: -747.313
where: short stacking energy: -311.705
Base-Backbone interact. energy: -0.947
local terms energy: -321.412100
where:
bonds (distance) C4'-P energy: -61.064
bonds (distance) P-C4' energy: -61.070
flat angles C4'-P-C4' energy: -79.690
flat angles P-C4'-P energy: -35.264
tors. eta vs tors. theta energy: -84.324
Dist. restrs. and SS energy: 5.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1068.966642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.966642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.664683 (E_RNA)
where:
Base-Base interactions energy: -735.165
where: short stacking energy: -312.626
Base-Backbone interact. energy: -3.460
local terms energy: -335.038905
where:
bonds (distance) C4'-P energy: -59.195
bonds (distance) P-C4' energy: -70.907
flat angles C4'-P-C4' energy: -69.596
flat angles P-C4'-P energy: -47.302
tors. eta vs tors. theta energy: -88.039
Dist. restrs. and SS energy: 4.698 (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: 3
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -996.022518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.022518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.317894 (E_RNA)
where:
Base-Base interactions energy: -683.293
where: short stacking energy: -279.531
Base-Backbone interact. energy: -1.834
local terms energy: -314.190689
where:
bonds (distance) C4'-P energy: -58.503
bonds (distance) P-C4' energy: -63.579
flat angles C4'-P-C4' energy: -63.211
flat angles P-C4'-P energy: -53.531
tors. eta vs tors. theta energy: -75.365
Dist. restrs. and SS energy: 3.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -931.596833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.596833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.982324 (E_RNA)
where:
Base-Base interactions energy: -659.760
where: short stacking energy: -273.879
Base-Backbone interact. energy: -3.014
local terms energy: -278.208462
where:
bonds (distance) C4'-P energy: -59.066
bonds (distance) P-C4' energy: -40.145
flat angles C4'-P-C4' energy: -58.046
flat angles P-C4'-P energy: -54.790
tors. eta vs tors. theta energy: -66.161
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: 1
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -900.157115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.157115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.989565 (E_RNA)
where:
Base-Base interactions energy: -630.343
where: short stacking energy: -244.175
Base-Backbone interact. energy: 0.096
local terms energy: -275.742611
where:
bonds (distance) C4'-P energy: -61.054
bonds (distance) P-C4' energy: -61.781
flat angles C4'-P-C4' energy: -55.815
flat angles P-C4'-P energy: -37.348
tors. eta vs tors. theta energy: -59.745
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: 10, replica: 4
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -876.119890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.119890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.201198 (E_RNA)
where:
Base-Base interactions energy: -615.709
where: short stacking energy: -237.379
Base-Backbone interact. energy: 0.217
local terms energy: -271.709554
where:
bonds (distance) C4'-P energy: -54.062
bonds (distance) P-C4' energy: -50.630
flat angles C4'-P-C4' energy: -68.610
flat angles P-C4'-P energy: -40.778
tors. eta vs tors. theta energy: -57.630
Dist. restrs. and SS energy: 11.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1278.000209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.000209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.283546 (E_RNA)
where:
Base-Base interactions energy: -900.511
where: short stacking energy: -360.932
Base-Backbone interact. energy: -1.823
local terms energy: -379.949755
where:
bonds (distance) C4'-P energy: -63.432
bonds (distance) P-C4' energy: -73.573
flat angles C4'-P-C4' energy: -89.100
flat angles P-C4'-P energy: -49.852
tors. eta vs tors. theta energy: -103.993
Dist. restrs. and SS energy: 4.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1181.598498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.598498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.505173 (E_RNA)
where:
Base-Base interactions energy: -813.793
where: short stacking energy: -344.467
Base-Backbone interact. energy: -2.681
local terms energy: -372.031098
where:
bonds (distance) C4'-P energy: -71.372
bonds (distance) P-C4' energy: -76.769
flat angles C4'-P-C4' energy: -73.995
flat angles P-C4'-P energy: -55.443
tors. eta vs tors. theta energy: -94.453
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: 3, replica: 10
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1122.157122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.157122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.972641 (E_RNA)
where:
Base-Base interactions energy: -787.958
where: short stacking energy: -321.965
Base-Backbone interact. energy: -1.245
local terms energy: -336.769370
where:
bonds (distance) C4'-P energy: -66.515
bonds (distance) P-C4' energy: -62.025
flat angles C4'-P-C4' energy: -73.583
flat angles P-C4'-P energy: -46.525
tors. eta vs tors. theta energy: -88.122
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: 4, replica: 8
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1162.252316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.252316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.519582 (E_RNA)
where:
Base-Base interactions energy: -813.360
where: short stacking energy: -332.308
Base-Backbone interact. energy: -2.140
local terms energy: -352.019263
where:
bonds (distance) C4'-P energy: -70.835
bonds (distance) P-C4' energy: -67.131
flat angles C4'-P-C4' energy: -65.716
flat angles P-C4'-P energy: -50.843
tors. eta vs tors. theta energy: -97.494
Dist. restrs. and SS energy: 5.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1052.859628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.859628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.206878 (E_RNA)
where:
Base-Base interactions energy: -724.621
where: short stacking energy: -294.610
Base-Backbone interact. energy: -1.758
local terms energy: -328.827715
where:
bonds (distance) C4'-P energy: -58.436
bonds (distance) P-C4' energy: -68.566
flat angles C4'-P-C4' energy: -64.059
flat angles P-C4'-P energy: -56.946
tors. eta vs tors. theta energy: -80.820
Dist. restrs. and SS energy: 2.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1012.199119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.199119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.872847 (E_RNA)
where:
Base-Base interactions energy: -698.233
where: short stacking energy: -276.162
Base-Backbone interact. energy: -0.176
local terms energy: -317.463881
where:
bonds (distance) C4'-P energy: -66.679
bonds (distance) P-C4' energy: -61.352
flat angles C4'-P-C4' energy: -61.510
flat angles P-C4'-P energy: -47.371
tors. eta vs tors. theta energy: -80.552
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: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1007.208762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.208762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.372802 (E_RNA)
where:
Base-Base interactions energy: -700.432
where: short stacking energy: -280.853
Base-Backbone interact. energy: -1.233
local terms energy: -306.707806
where:
bonds (distance) C4'-P energy: -60.294
bonds (distance) P-C4' energy: -69.601
flat angles C4'-P-C4' energy: -59.042
flat angles P-C4'-P energy: -41.089
tors. eta vs tors. theta energy: -76.682
Dist. restrs. and SS energy: 1.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -936.201713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.201713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.837052 (E_RNA)
where:
Base-Base interactions energy: -658.630
where: short stacking energy: -252.996
Base-Backbone interact. energy: 0.514
local terms energy: -281.721266
where:
bonds (distance) C4'-P energy: -50.274
bonds (distance) P-C4' energy: -68.672
flat angles C4'-P-C4' energy: -56.260
flat angles P-C4'-P energy: -36.980
tors. eta vs tors. theta energy: -69.536
Dist. restrs. and SS energy: 3.635 (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: 1
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -935.844171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.844171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.118395 (E_RNA)
where:
Base-Base interactions energy: -651.324
where: short stacking energy: -262.120
Base-Backbone interact. energy: -0.970
local terms energy: -287.824302
where:
bonds (distance) C4'-P energy: -59.845
bonds (distance) P-C4' energy: -53.252
flat angles C4'-P-C4' energy: -68.080
flat angles P-C4'-P energy: -30.070
tors. eta vs tors. theta energy: -76.577
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: 10, replica: 4
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -872.624707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.624707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.157324 (E_RNA)
where:
Base-Base interactions energy: -608.911
where: short stacking energy: -252.960
Base-Backbone interact. energy: -0.158
local terms energy: -273.088402
where:
bonds (distance) C4'-P energy: -51.140
bonds (distance) P-C4' energy: -47.247
flat angles C4'-P-C4' energy: -69.343
flat angles P-C4'-P energy: -37.589
tors. eta vs tors. theta energy: -67.770
Dist. restrs. and SS energy: 9.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1239.110637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.110637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.190579 (E_RNA)
where:
Base-Base interactions energy: -862.778
where: short stacking energy: -371.032
Base-Backbone interact. energy: -2.464
local terms energy: -379.948867
where:
bonds (distance) C4'-P energy: -72.754
bonds (distance) P-C4' energy: -74.798
flat angles C4'-P-C4' energy: -73.511
flat angles P-C4'-P energy: -60.865
tors. eta vs tors. theta energy: -98.020
Dist. restrs. and SS energy: 6.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1177.078200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.078200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.484098 (E_RNA)
where:
Base-Base interactions energy: -804.190
where: short stacking energy: -327.729
Base-Backbone interact. energy: -3.965
local terms energy: -373.329163
where:
bonds (distance) C4'-P energy: -71.407
bonds (distance) P-C4' energy: -68.704
flat angles C4'-P-C4' energy: -78.709
flat angles P-C4'-P energy: -61.277
tors. eta vs tors. theta energy: -93.233
Dist. restrs. and SS energy: 4.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1160.413911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.413911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.564090 (E_RNA)
where:
Base-Base interactions energy: -837.969
where: short stacking energy: -348.823
Base-Backbone interact. energy: -0.208
local terms energy: -325.386864
where:
bonds (distance) C4'-P energy: -55.567
bonds (distance) P-C4' energy: -72.817
flat angles C4'-P-C4' energy: -65.807
flat angles P-C4'-P energy: -46.579
tors. eta vs tors. theta energy: -84.617
Dist. restrs. and SS energy: 3.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1150.969831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.969831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.453589 (E_RNA)
where:
Base-Base interactions energy: -812.356
where: short stacking energy: -333.129
Base-Backbone interact. energy: -0.009
local terms energy: -344.088356
where:
bonds (distance) C4'-P energy: -58.863
bonds (distance) P-C4' energy: -65.793
flat angles C4'-P-C4' energy: -76.798
flat angles P-C4'-P energy: -48.471
tors. eta vs tors. theta energy: -94.163
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: 138
Temperature: 1.100000
Total energy: -1035.971140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.971140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.293951 (E_RNA)
where:
Base-Base interactions energy: -718.535
where: short stacking energy: -284.312
Base-Backbone interact. energy: -1.310
local terms energy: -319.448529
where:
bonds (distance) C4'-P energy: -67.838
bonds (distance) P-C4' energy: -66.481
flat angles C4'-P-C4' energy: -69.580
flat angles P-C4'-P energy: -45.768
tors. eta vs tors. theta energy: -69.781
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: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1043.104275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.104275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.259709 (E_RNA)
where:
Base-Base interactions energy: -720.423
where: short stacking energy: -308.088
Base-Backbone interact. energy: -0.730
local terms energy: -328.106704
where:
bonds (distance) C4'-P energy: -60.583
bonds (distance) P-C4' energy: -59.243
flat angles C4'-P-C4' energy: -75.240
flat angles P-C4'-P energy: -40.609
tors. eta vs tors. theta energy: -92.432
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: 7, replica: 3
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1027.963862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.963862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.207475 (E_RNA)
where:
Base-Base interactions energy: -720.786
where: short stacking energy: -289.061
Base-Backbone interact. energy: 3.527
local terms energy: -311.948264
where:
bonds (distance) C4'-P energy: -58.020
bonds (distance) P-C4' energy: -63.687
flat angles C4'-P-C4' energy: -62.989
flat angles P-C4'-P energy: -47.544
tors. eta vs tors. theta energy: -79.709
Dist. restrs. and SS energy: 1.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -951.629581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.629581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.438994 (E_RNA)
where:
Base-Base interactions energy: -691.788
where: short stacking energy: -273.347
Base-Backbone interact. energy: -2.977
local terms energy: -260.674775
where:
bonds (distance) C4'-P energy: -46.092
bonds (distance) P-C4' energy: -52.872
flat angles C4'-P-C4' energy: -60.840
flat angles P-C4'-P energy: -38.801
tors. eta vs tors. theta energy: -62.069
Dist. restrs. and SS energy: 3.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -925.399591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.399591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.116533 (E_RNA)
where:
Base-Base interactions energy: -632.771
where: short stacking energy: -240.276
Base-Backbone interact. energy: -1.533
local terms energy: -297.812368
where:
bonds (distance) C4'-P energy: -67.434
bonds (distance) P-C4' energy: -66.693
flat angles C4'-P-C4' energy: -68.531
flat angles P-C4'-P energy: -39.512
tors. eta vs tors. theta energy: -55.642
Dist. restrs. and SS energy: 6.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -901.391769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.391769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.394338 (E_RNA)
where:
Base-Base interactions energy: -629.609
where: short stacking energy: -251.435
Base-Backbone interact. energy: -1.254
local terms energy: -273.531437
where:
bonds (distance) C4'-P energy: -50.356
bonds (distance) P-C4' energy: -67.686
flat angles C4'-P-C4' energy: -49.533
flat angles P-C4'-P energy: -44.087
tors. eta vs tors. theta energy: -61.869
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: 1, replica: 9
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1246.805389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.805389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.841586 (E_RNA)
where:
Base-Base interactions energy: -862.102
where: short stacking energy: -367.070
Base-Backbone interact. energy: -1.929
local terms energy: -388.810516
where:
bonds (distance) C4'-P energy: -77.445
bonds (distance) P-C4' energy: -76.964
flat angles C4'-P-C4' energy: -75.207
flat angles P-C4'-P energy: -56.597
tors. eta vs tors. theta energy: -102.598
Dist. restrs. and SS energy: 6.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1187.165592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.165592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.637055 (E_RNA)
where:
Base-Base interactions energy: -825.485
where: short stacking energy: -330.613
Base-Backbone interact. energy: -3.119
local terms energy: -362.033314
where:
bonds (distance) C4'-P energy: -73.039
bonds (distance) P-C4' energy: -65.591
flat angles C4'-P-C4' energy: -75.038
flat angles P-C4'-P energy: -52.148
tors. eta vs tors. theta energy: -96.217
Dist. restrs. and SS energy: 3.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1141.578333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.578333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.185916 (E_RNA)
where:
Base-Base interactions energy: -783.302
where: short stacking energy: -306.847
Base-Backbone interact. energy: -3.315
local terms energy: -358.569394
where:
bonds (distance) C4'-P energy: -65.444
bonds (distance) P-C4' energy: -70.420
flat angles C4'-P-C4' energy: -76.137
flat angles P-C4'-P energy: -57.497
tors. eta vs tors. theta energy: -89.071
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: 139
Temperature: 1.050000
Total energy: -1126.522145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.522145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.949092 (E_RNA)
where:
Base-Base interactions energy: -785.352
where: short stacking energy: -308.314
Base-Backbone interact. energy: -0.972
local terms energy: -347.624711
where:
bonds (distance) C4'-P energy: -70.791
bonds (distance) P-C4' energy: -58.975
flat angles C4'-P-C4' energy: -76.529
flat angles P-C4'-P energy: -51.557
tors. eta vs tors. theta energy: -89.773
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: 5, replica: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1059.681247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.681247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.039701 (E_RNA)
where:
Base-Base interactions energy: -725.351
where: short stacking energy: -288.654
Base-Backbone interact. energy: -2.324
local terms energy: -335.365296
where:
bonds (distance) C4'-P energy: -63.738
bonds (distance) P-C4' energy: -73.678
flat angles C4'-P-C4' energy: -65.629
flat angles P-C4'-P energy: -44.799
tors. eta vs tors. theta energy: -87.522
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: 6, replica: 3
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1024.679163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.679163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.747467 (E_RNA)
where:
Base-Base interactions energy: -708.200
where: short stacking energy: -300.445
Base-Backbone interact. energy: 0.719
local terms energy: -322.265969
where:
bonds (distance) C4'-P energy: -65.368
bonds (distance) P-C4' energy: -61.610
flat angles C4'-P-C4' energy: -69.466
flat angles P-C4'-P energy: -50.372
tors. eta vs tors. theta energy: -75.450
Dist. restrs. and SS energy: 5.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -996.222518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.222518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.332366 (E_RNA)
where:
Base-Base interactions energy: -684.039
where: short stacking energy: -281.410
Base-Backbone interact. energy: 3.046
local terms energy: -319.339102
where:
bonds (distance) C4'-P energy: -61.600
bonds (distance) P-C4' energy: -56.003
flat angles C4'-P-C4' energy: -78.922
flat angles P-C4'-P energy: -48.494
tors. eta vs tors. theta energy: -74.320
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: 2
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -990.005031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.005031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.362929 (E_RNA)
where:
Base-Base interactions energy: -703.238
where: short stacking energy: -277.815
Base-Backbone interact. energy: -2.157
local terms energy: -288.968105
where:
bonds (distance) C4'-P energy: -56.415
bonds (distance) P-C4' energy: -54.283
flat angles C4'-P-C4' energy: -65.494
flat angles P-C4'-P energy: -52.714
tors. eta vs tors. theta energy: -60.062
Dist. restrs. and SS energy: 4.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -931.529996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.529996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.611164 (E_RNA)
where:
Base-Base interactions energy: -633.915
where: short stacking energy: -243.332
Base-Backbone interact. energy: -2.484
local terms energy: -297.212283
where:
bonds (distance) C4'-P energy: -57.061
bonds (distance) P-C4' energy: -62.855
flat angles C4'-P-C4' energy: -66.839
flat angles P-C4'-P energy: -44.804
tors. eta vs tors. theta energy: -65.654
Dist. restrs. and SS energy: 2.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -888.400712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.400712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.174204 (E_RNA)
where:
Base-Base interactions energy: -628.208
where: short stacking energy: -246.718
Base-Backbone interact. energy: -0.934
local terms energy: -264.032936
where:
bonds (distance) C4'-P energy: -49.266
bonds (distance) P-C4' energy: -50.641
flat angles C4'-P-C4' energy: -57.890
flat angles P-C4'-P energy: -42.749
tors. eta vs tors. theta energy: -63.486
Dist. restrs. and SS energy: 4.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1259.357124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.357124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.647671 (E_RNA)
where:
Base-Base interactions energy: -890.204
where: short stacking energy: -365.664
Base-Backbone interact. energy: -1.459
local terms energy: -372.984040
where:
bonds (distance) C4'-P energy: -56.728
bonds (distance) P-C4' energy: -77.069
flat angles C4'-P-C4' energy: -74.218
flat angles P-C4'-P energy: -62.067
tors. eta vs tors. theta energy: -102.902
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: 2, replica: 10
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1161.900247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.900247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.260127 (E_RNA)
where:
Base-Base interactions energy: -813.014
where: short stacking energy: -328.003
Base-Backbone interact. energy: -2.554
local terms energy: -349.691934
where:
bonds (distance) C4'-P energy: -64.637
bonds (distance) P-C4' energy: -69.988
flat angles C4'-P-C4' energy: -80.660
flat angles P-C4'-P energy: -43.906
tors. eta vs tors. theta energy: -90.502
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: 3, replica: 6
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1144.296824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.296824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.054651 (E_RNA)
where:
Base-Base interactions energy: -781.612
where: short stacking energy: -318.976
Base-Backbone interact. energy: -1.477
local terms energy: -365.965392
where:
bonds (distance) C4'-P energy: -69.443
bonds (distance) P-C4' energy: -69.037
flat angles C4'-P-C4' energy: -76.686
flat angles P-C4'-P energy: -55.077
tors. eta vs tors. theta energy: -95.722
Dist. restrs. and SS energy: 4.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1119.315752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.315752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.191690 (E_RNA)
where:
Base-Base interactions energy: -782.022
where: short stacking energy: -324.277
Base-Backbone interact. energy: -1.824
local terms energy: -338.346296
where:
bonds (distance) C4'-P energy: -60.822
bonds (distance) P-C4' energy: -66.643
flat angles C4'-P-C4' energy: -71.461
flat angles P-C4'-P energy: -51.088
tors. eta vs tors. theta energy: -88.332
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: 5, replica: 3
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1057.875113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.875113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.860861 (E_RNA)
where:
Base-Base interactions energy: -740.366
where: short stacking energy: -300.398
Base-Backbone interact. energy: -0.756
local terms energy: -319.739131
where:
bonds (distance) C4'-P energy: -54.354
bonds (distance) P-C4' energy: -66.864
flat angles C4'-P-C4' energy: -70.954
flat angles P-C4'-P energy: -43.004
tors. eta vs tors. theta energy: -84.563
Dist. restrs. and SS energy: 2.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1037.678691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.678691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.842983 (E_RNA)
where:
Base-Base interactions energy: -725.635
where: short stacking energy: -294.218
Base-Backbone interact. energy: -1.341
local terms energy: -315.867280
where:
bonds (distance) C4'-P energy: -61.621
bonds (distance) P-C4' energy: -62.687
flat angles C4'-P-C4' energy: -74.729
flat angles P-C4'-P energy: -42.610
tors. eta vs tors. theta energy: -74.220
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: 7, replica: 2
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -973.417454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.417454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.769895 (E_RNA)
where:
Base-Base interactions energy: -685.298
where: short stacking energy: -272.826
Base-Backbone interact. energy: -2.169
local terms energy: -294.302158
where:
bonds (distance) C4'-P energy: -52.494
bonds (distance) P-C4' energy: -63.893
flat angles C4'-P-C4' energy: -68.568
flat angles P-C4'-P energy: -42.397
tors. eta vs tors. theta energy: -66.949
Dist. restrs. and SS energy: 8.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -962.216492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.216492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.814413 (E_RNA)
where:
Base-Base interactions energy: -670.394
where: short stacking energy: -267.360
Base-Backbone interact. energy: -3.401
local terms energy: -292.020005
where:
bonds (distance) C4'-P energy: -54.138
bonds (distance) P-C4' energy: -57.655
flat angles C4'-P-C4' energy: -63.291
flat angles P-C4'-P energy: -46.266
tors. eta vs tors. theta energy: -70.669
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: 9, replica: 1
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -901.780146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.780146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.454974 (E_RNA)
where:
Base-Base interactions energy: -617.181
where: short stacking energy: -241.821
Base-Backbone interact. energy: -0.266
local terms energy: -292.008279
where:
bonds (distance) C4'-P energy: -47.047
bonds (distance) P-C4' energy: -59.938
flat angles C4'-P-C4' energy: -76.024
flat angles P-C4'-P energy: -41.717
tors. eta vs tors. theta energy: -67.282
Dist. restrs. and SS energy: 7.675 (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: 4
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -893.307174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.307174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.189222 (E_RNA)
where:
Base-Base interactions energy: -634.208
where: short stacking energy: -254.699
Base-Backbone interact. energy: 2.199
local terms energy: -263.180203
where:
bonds (distance) C4'-P energy: -54.051
bonds (distance) P-C4' energy: -52.386
flat angles C4'-P-C4' energy: -61.425
flat angles P-C4'-P energy: -32.431
tors. eta vs tors. theta energy: -62.887
Dist. restrs. and SS energy: 1.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1265.770293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.770293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.076585 (E_RNA)
where:
Base-Base interactions energy: -878.146
where: short stacking energy: -358.612
Base-Backbone interact. energy: -2.297
local terms energy: -391.633809
where:
bonds (distance) C4'-P energy: -75.586
bonds (distance) P-C4' energy: -77.594
flat angles C4'-P-C4' energy: -80.300
flat angles P-C4'-P energy: -55.504
tors. eta vs tors. theta energy: -102.650
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: 2, replica: 10
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1180.771363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.771363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.607501 (E_RNA)
where:
Base-Base interactions energy: -833.050
where: short stacking energy: -348.862
Base-Backbone interact. energy: -1.425
local terms energy: -349.132713
where:
bonds (distance) C4'-P energy: -67.292
bonds (distance) P-C4' energy: -71.695
flat angles C4'-P-C4' energy: -74.193
flat angles P-C4'-P energy: -45.974
tors. eta vs tors. theta energy: -89.978
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: 3, replica: 6
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1126.195359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.195359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.299469 (E_RNA)
where:
Base-Base interactions energy: -780.008
where: short stacking energy: -326.346
Base-Backbone interact. energy: -1.314
local terms energy: -347.977877
where:
bonds (distance) C4'-P energy: -53.824
bonds (distance) P-C4' energy: -70.910
flat angles C4'-P-C4' energy: -81.532
flat angles P-C4'-P energy: -47.694
tors. eta vs tors. theta energy: -94.018
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: 4, replica: 8
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1105.494169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.494169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.403112 (E_RNA)
where:
Base-Base interactions energy: -772.361
where: short stacking energy: -298.337
Base-Backbone interact. energy: -0.003
local terms energy: -337.038544
where:
bonds (distance) C4'-P energy: -67.925
bonds (distance) P-C4' energy: -74.318
flat angles C4'-P-C4' energy: -66.630
flat angles P-C4'-P energy: -47.330
tors. eta vs tors. theta energy: -80.835
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: 5, replica: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1082.508552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.508552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.413103 (E_RNA)
where:
Base-Base interactions energy: -751.551
where: short stacking energy: -297.320
Base-Backbone interact. energy: 0.176
local terms energy: -336.038067
where:
bonds (distance) C4'-P energy: -61.267
bonds (distance) P-C4' energy: -67.437
flat angles C4'-P-C4' energy: -73.938
flat angles P-C4'-P energy: -48.092
tors. eta vs tors. theta energy: -85.303
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: 6, replica: 7
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1035.995723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.995723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.115538 (E_RNA)
where:
Base-Base interactions energy: -717.994
where: short stacking energy: -293.600
Base-Backbone interact. energy: -0.735
local terms energy: -322.386054
where:
bonds (distance) C4'-P energy: -62.913
bonds (distance) P-C4' energy: -63.344
flat angles C4'-P-C4' energy: -63.292
flat angles P-C4'-P energy: -51.595
tors. eta vs tors. theta energy: -81.242
Dist. restrs. and SS energy: 5.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -977.798996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.798996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.702107 (E_RNA)
where:
Base-Base interactions energy: -710.647
where: short stacking energy: -266.926
Base-Backbone interact. energy: 0.030
local terms energy: -272.085127
where:
bonds (distance) C4'-P energy: -51.140
bonds (distance) P-C4' energy: -49.223
flat angles C4'-P-C4' energy: -57.168
flat angles P-C4'-P energy: -41.595
tors. eta vs tors. theta energy: -72.958
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: 8, replica: 5
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -987.442968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.442968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.401797 (E_RNA)
where:
Base-Base interactions energy: -690.857
where: short stacking energy: -287.693
Base-Backbone interact. energy: -0.976
local terms energy: -299.569060
where:
bonds (distance) C4'-P energy: -60.993
bonds (distance) P-C4' energy: -67.345
flat angles C4'-P-C4' energy: -62.089
flat angles P-C4'-P energy: -34.865
tors. eta vs tors. theta energy: -74.277
Dist. restrs. and SS energy: 3.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -899.901593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.901593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.386473 (E_RNA)
where:
Base-Base interactions energy: -644.934
where: short stacking energy: -261.441
Base-Backbone interact. energy: -0.527
local terms energy: -259.925840
where:
bonds (distance) C4'-P energy: -53.937
bonds (distance) P-C4' energy: -52.751
flat angles C4'-P-C4' energy: -59.057
flat angles P-C4'-P energy: -30.569
tors. eta vs tors. theta energy: -63.612
Dist. restrs. and SS energy: 5.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -881.999246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.999246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.668735 (E_RNA)
where:
Base-Base interactions energy: -624.090
where: short stacking energy: -253.812
Base-Backbone interact. energy: -1.757
local terms energy: -264.820806
where:
bonds (distance) C4'-P energy: -47.897
bonds (distance) P-C4' energy: -57.820
flat angles C4'-P-C4' energy: -61.542
flat angles P-C4'-P energy: -34.562
tors. eta vs tors. theta energy: -63.000
Dist. restrs. and SS energy: 8.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1267.830489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.830489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.375915 (E_RNA)
where:
Base-Base interactions energy: -886.691
where: short stacking energy: -353.303
Base-Backbone interact. energy: -1.719
local terms energy: -384.966650
where:
bonds (distance) C4'-P energy: -72.548
bonds (distance) P-C4' energy: -71.055
flat angles C4'-P-C4' energy: -80.190
flat angles P-C4'-P energy: -53.947
tors. eta vs tors. theta energy: -107.227
Dist. restrs. and SS energy: 5.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1197.228178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.228178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.848789 (E_RNA)
where:
Base-Base interactions energy: -841.361
where: short stacking energy: -346.325
Base-Backbone interact. energy: -0.940
local terms energy: -358.548057
where:
bonds (distance) C4'-P energy: -69.702
bonds (distance) P-C4' energy: -67.361
flat angles C4'-P-C4' energy: -71.590
flat angles P-C4'-P energy: -54.596
tors. eta vs tors. theta energy: -95.299
Dist. restrs. and SS energy: 3.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1126.096817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.096817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.857622 (E_RNA)
where:
Base-Base interactions energy: -791.767
where: short stacking energy: -328.849
Base-Backbone interact. energy: -1.123
local terms energy: -335.968142
where:
bonds (distance) C4'-P energy: -69.630
bonds (distance) P-C4' energy: -59.657
flat angles C4'-P-C4' energy: -69.011
flat angles P-C4'-P energy: -49.128
tors. eta vs tors. theta energy: -88.542
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: 4, replica: 6
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1147.741226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.741226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.492400 (E_RNA)
where:
Base-Base interactions energy: -792.523
where: short stacking energy: -345.265
Base-Backbone interact. energy: -1.088
local terms energy: -357.880900
where:
bonds (distance) C4'-P energy: -58.558
bonds (distance) P-C4' energy: -68.776
flat angles C4'-P-C4' energy: -74.289
flat angles P-C4'-P energy: -55.446
tors. eta vs tors. theta energy: -100.813
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: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1070.789557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.789557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.290445 (E_RNA)
where:
Base-Base interactions energy: -757.099
where: short stacking energy: -308.846
Base-Backbone interact. energy: -1.032
local terms energy: -316.159715
where:
bonds (distance) C4'-P energy: -57.871
bonds (distance) P-C4' energy: -66.478
flat angles C4'-P-C4' energy: -68.801
flat angles P-C4'-P energy: -44.981
tors. eta vs tors. theta energy: -78.028
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: 6, replica: 7
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1026.438673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.438673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.625775 (E_RNA)
where:
Base-Base interactions energy: -707.247
where: short stacking energy: -285.382
Base-Backbone interact. energy: -1.273
local terms energy: -321.105122
where:
bonds (distance) C4'-P energy: -53.363
bonds (distance) P-C4' energy: -67.043
flat angles C4'-P-C4' energy: -71.448
flat angles P-C4'-P energy: -43.517
tors. eta vs tors. theta energy: -85.734
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: 5
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -991.781110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.781110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.802447 (E_RNA)
where:
Base-Base interactions energy: -694.063
where: short stacking energy: -284.629
Base-Backbone interact. energy: -1.316
local terms energy: -299.423618
where:
bonds (distance) C4'-P energy: -52.132
bonds (distance) P-C4' energy: -59.657
flat angles C4'-P-C4' energy: -66.658
flat angles P-C4'-P energy: -48.255
tors. eta vs tors. theta energy: -72.722
Dist. restrs. and SS energy: 3.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -927.174623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.174623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.622435 (E_RNA)
where:
Base-Base interactions energy: -664.564
where: short stacking energy: -257.901
Base-Backbone interact. energy: -0.435
local terms energy: -269.623780
where:
bonds (distance) C4'-P energy: -59.148
bonds (distance) P-C4' energy: -63.389
flat angles C4'-P-C4' energy: -59.841
flat angles P-C4'-P energy: -34.434
tors. eta vs tors. theta energy: -52.811
Dist. restrs. and SS energy: 7.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -915.358256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.358256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.405019 (E_RNA)
where:
Base-Base interactions energy: -640.302
where: short stacking energy: -253.819
Base-Backbone interact. energy: -2.201
local terms energy: -275.901977
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -56.094
flat angles C4'-P-C4' energy: -60.453
flat angles P-C4'-P energy: -40.949
tors. eta vs tors. theta energy: -59.140
Dist. restrs. and SS energy: 3.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -878.174675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.174675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.325597 (E_RNA)
where:
Base-Base interactions energy: -638.779
where: short stacking energy: -247.251
Base-Backbone interact. energy: -1.905
local terms energy: -244.641216
where:
bonds (distance) C4'-P energy: -36.838
bonds (distance) P-C4' energy: -56.422
flat angles C4'-P-C4' energy: -53.010
flat angles P-C4'-P energy: -37.876
tors. eta vs tors. theta energy: -60.494
Dist. restrs. and SS energy: 7.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1266.288162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.288162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.246368 (E_RNA)
where:
Base-Base interactions energy: -873.228
where: short stacking energy: -368.845
Base-Backbone interact. energy: -3.397
local terms energy: -394.620590
where:
bonds (distance) C4'-P energy: -69.143
bonds (distance) P-C4' energy: -73.974
flat angles C4'-P-C4' energy: -80.409
flat angles P-C4'-P energy: -60.324
tors. eta vs tors. theta energy: -110.770
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: 2, replica: 10
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1187.623645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.623645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.539341 (E_RNA)
where:
Base-Base interactions energy: -829.679
where: short stacking energy: -342.216
Base-Backbone interact. energy: -0.833
local terms energy: -361.028171
where:
bonds (distance) C4'-P energy: -55.845
bonds (distance) P-C4' energy: -78.554
flat angles C4'-P-C4' energy: -73.892
flat angles P-C4'-P energy: -59.384
tors. eta vs tors. theta energy: -93.353
Dist. restrs. and SS energy: 3.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1133.616584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.616584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.324584 (E_RNA)
where:
Base-Base interactions energy: -791.795
where: short stacking energy: -328.710
Base-Backbone interact. energy: -2.010
local terms energy: -344.519065
where:
bonds (distance) C4'-P energy: -69.922
bonds (distance) P-C4' energy: -70.536
flat angles C4'-P-C4' energy: -68.832
flat angles P-C4'-P energy: -46.683
tors. eta vs tors. theta energy: -88.546
Dist. restrs. and SS energy: 4.708 (S_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: 143
Temperature: 1.050000
Total energy: -1107.899450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.899450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.514348 (E_RNA)
where:
Base-Base interactions energy: -771.868
where: short stacking energy: -323.760
Base-Backbone interact. energy: 1.393
local terms energy: -341.038809
where:
bonds (distance) C4'-P energy: -62.430
bonds (distance) P-C4' energy: -55.423
flat angles C4'-P-C4' energy: -75.036
flat angles P-C4'-P energy: -57.695
tors. eta vs tors. theta energy: -90.456
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: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1085.163695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.163695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.135799 (E_RNA)
where:
Base-Base interactions energy: -738.684
where: short stacking energy: -313.785
Base-Backbone interact. energy: -0.624
local terms energy: -351.828192
where:
bonds (distance) C4'-P energy: -63.840
bonds (distance) P-C4' energy: -66.746
flat angles C4'-P-C4' energy: -77.068
flat angles P-C4'-P energy: -45.569
tors. eta vs tors. theta energy: -98.605
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: 7
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1044.785609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.785609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.975316 (E_RNA)
where:
Base-Base interactions energy: -750.312
where: short stacking energy: -303.292
Base-Backbone interact. energy: -1.599
local terms energy: -294.064105
where:
bonds (distance) C4'-P energy: -59.519
bonds (distance) P-C4' energy: -46.444
flat angles C4'-P-C4' energy: -60.715
flat angles P-C4'-P energy: -45.959
tors. eta vs tors. theta energy: -81.427
Dist. restrs. and SS energy: 1.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -996.670034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.670034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.087763 (E_RNA)
where:
Base-Base interactions energy: -695.587
where: short stacking energy: -281.731
Base-Backbone interact. energy: 0.128
local terms energy: -304.628862
where:
bonds (distance) C4'-P energy: -53.121
bonds (distance) P-C4' energy: -67.046
flat angles C4'-P-C4' energy: -69.267
flat angles P-C4'-P energy: -46.306
tors. eta vs tors. theta energy: -68.889
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: 2
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1001.817467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.817467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.439560 (E_RNA)
where:
Base-Base interactions energy: -699.365
where: short stacking energy: -287.847
Base-Backbone interact. energy: -1.727
local terms energy: -306.347429
where:
bonds (distance) C4'-P energy: -59.347
bonds (distance) P-C4' energy: -70.084
flat angles C4'-P-C4' energy: -72.798
flat angles P-C4'-P energy: -36.806
tors. eta vs tors. theta energy: -67.312
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: 9, replica: 1
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -920.722662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.722662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.667134 (E_RNA)
where:
Base-Base interactions energy: -636.587
where: short stacking energy: -253.282
Base-Backbone interact. energy: -1.385
local terms energy: -284.695214
where:
bonds (distance) C4'-P energy: -60.024
bonds (distance) P-C4' energy: -60.655
flat angles C4'-P-C4' energy: -64.697
flat angles P-C4'-P energy: -28.428
tors. eta vs tors. theta energy: -70.890
Dist. restrs. and SS energy: 1.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -906.539368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.539368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.754628 (E_RNA)
where:
Base-Base interactions energy: -642.489
where: short stacking energy: -263.474
Base-Backbone interact. energy: 4.800
local terms energy: -276.066210
where:
bonds (distance) C4'-P energy: -47.433
bonds (distance) P-C4' energy: -66.619
flat angles C4'-P-C4' energy: -55.105
flat angles P-C4'-P energy: -39.540
tors. eta vs tors. theta energy: -67.369
Dist. restrs. and SS energy: 7.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1277.750605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.750605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.255116 (E_RNA)
where:
Base-Base interactions energy: -894.032
where: short stacking energy: -371.678
Base-Backbone interact. energy: -3.158
local terms energy: -384.065434
where:
bonds (distance) C4'-P energy: -71.133
bonds (distance) P-C4' energy: -71.520
flat angles C4'-P-C4' energy: -78.822
flat angles P-C4'-P energy: -57.076
tors. eta vs tors. theta energy: -105.516
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: 2, replica: 10
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1221.697599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.697599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.053671 (E_RNA)
where:
Base-Base interactions energy: -859.497
where: short stacking energy: -360.867
Base-Backbone interact. energy: -0.994
local terms energy: -364.562966
where:
bonds (distance) C4'-P energy: -58.287
bonds (distance) P-C4' energy: -67.765
flat angles C4'-P-C4' energy: -76.016
flat angles P-C4'-P energy: -57.771
tors. eta vs tors. theta energy: -104.725
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: 3, replica: 8
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1131.789757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.789757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.207044 (E_RNA)
where:
Base-Base interactions energy: -794.565
where: short stacking energy: -335.487
Base-Backbone interact. energy: -1.719
local terms energy: -339.923444
where:
bonds (distance) C4'-P energy: -57.139
bonds (distance) P-C4' energy: -59.382
flat angles C4'-P-C4' energy: -77.673
flat angles P-C4'-P energy: -49.807
tors. eta vs tors. theta energy: -95.922
Dist. restrs. and SS energy: 4.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1115.100508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.100508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.528998 (E_RNA)
where:
Base-Base interactions energy: -765.728
where: short stacking energy: -305.342
Base-Backbone interact. energy: -2.681
local terms energy: -350.119890
where:
bonds (distance) C4'-P energy: -62.558
bonds (distance) P-C4' energy: -67.619
flat angles C4'-P-C4' energy: -79.675
flat angles P-C4'-P energy: -46.230
tors. eta vs tors. theta energy: -94.037
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: 5, replica: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1076.507328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.507328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.493325 (E_RNA)
where:
Base-Base interactions energy: -758.263
where: short stacking energy: -310.008
Base-Backbone interact. energy: -1.736
local terms energy: -319.493606
where:
bonds (distance) C4'-P energy: -59.495
bonds (distance) P-C4' energy: -59.961
flat angles C4'-P-C4' energy: -74.176
flat angles P-C4'-P energy: -47.589
tors. eta vs tors. theta energy: -78.273
Dist. restrs. and SS energy: 2.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1037.641119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.641119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.922044 (E_RNA)
where:
Base-Base interactions energy: -724.834
where: short stacking energy: -287.805
Base-Backbone interact. energy: -1.738
local terms energy: -312.350623
where:
bonds (distance) C4'-P energy: -69.960
bonds (distance) P-C4' energy: -60.658
flat angles C4'-P-C4' energy: -63.020
flat angles P-C4'-P energy: -43.484
tors. eta vs tors. theta energy: -75.229
Dist. restrs. and SS energy: 1.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -970.511946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.511946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.017302 (E_RNA)
where:
Base-Base interactions energy: -660.459
where: short stacking energy: -269.649
Base-Backbone interact. energy: -0.929
local terms energy: -310.628732
where:
bonds (distance) C4'-P energy: -68.472
bonds (distance) P-C4' energy: -60.431
flat angles C4'-P-C4' energy: -63.638
flat angles P-C4'-P energy: -42.899
tors. eta vs tors. theta energy: -75.189
Dist. restrs. and SS energy: 1.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -962.669897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.669897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.781970 (E_RNA)
where:
Base-Base interactions energy: -673.677
where: short stacking energy: -267.707
Base-Backbone interact. energy: 1.251
local terms energy: -294.356153
where:
bonds (distance) C4'-P energy: -55.168
bonds (distance) P-C4' energy: -58.721
flat angles C4'-P-C4' energy: -68.081
flat angles P-C4'-P energy: -36.016
tors. eta vs tors. theta energy: -76.370
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: 9, replica: 4
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -955.509407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.509407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.983323 (E_RNA)
where:
Base-Base interactions energy: -682.277
where: short stacking energy: -283.848
Base-Backbone interact. energy: -0.912
local terms energy: -277.794240
where:
bonds (distance) C4'-P energy: -60.293
bonds (distance) P-C4' energy: -44.627
flat angles C4'-P-C4' energy: -62.370
flat angles P-C4'-P energy: -33.511
tors. eta vs tors. theta energy: -76.993
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: 10, replica: 1
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -856.247850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.247850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.305333 (E_RNA)
where:
Base-Base interactions energy: -610.317
where: short stacking energy: -236.008
Base-Backbone interact. energy: -0.091
local terms energy: -252.896885
where:
bonds (distance) C4'-P energy: -42.253
bonds (distance) P-C4' energy: -53.626
flat angles C4'-P-C4' energy: -62.416
flat angles P-C4'-P energy: -41.138
tors. eta vs tors. theta energy: -53.464
Dist. restrs. and SS energy: 7.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1267.471484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.471484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.454250 (E_RNA)
where:
Base-Base interactions energy: -889.357
where: short stacking energy: -362.649
Base-Backbone interact. energy: -1.951
local terms energy: -381.146584
where:
bonds (distance) C4'-P energy: -70.539
bonds (distance) P-C4' energy: -67.365
flat angles C4'-P-C4' energy: -84.188
flat angles P-C4'-P energy: -57.297
tors. eta vs tors. theta energy: -101.757
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: 2, replica: 10
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1207.087542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.087542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.876393 (E_RNA)
where:
Base-Base interactions energy: -845.698
where: short stacking energy: -359.251
Base-Backbone interact. energy: -0.916
local terms energy: -364.262138
where:
bonds (distance) C4'-P energy: -60.262
bonds (distance) P-C4' energy: -68.897
flat angles C4'-P-C4' energy: -71.569
flat angles P-C4'-P energy: -57.401
tors. eta vs tors. theta energy: -106.133
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: 3, replica: 8
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1156.879945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.879945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.265552 (E_RNA)
where:
Base-Base interactions energy: -799.597
where: short stacking energy: -328.140
Base-Backbone interact. energy: -1.566
local terms energy: -359.102909
where:
bonds (distance) C4'-P energy: -67.933
bonds (distance) P-C4' energy: -69.862
flat angles C4'-P-C4' energy: -81.916
flat angles P-C4'-P energy: -41.747
tors. eta vs tors. theta energy: -97.645
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: 4, replica: 6
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1111.558702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.558702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.971796 (E_RNA)
where:
Base-Base interactions energy: -748.681
where: short stacking energy: -316.337
Base-Backbone interact. energy: -4.093
local terms energy: -363.197464
where:
bonds (distance) C4'-P energy: -71.428
bonds (distance) P-C4' energy: -71.984
flat angles C4'-P-C4' energy: -67.937
flat angles P-C4'-P energy: -55.338
tors. eta vs tors. theta energy: -96.511
Dist. restrs. and SS energy: 4.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1045.279573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.279573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.885836 (E_RNA)
where:
Base-Base interactions energy: -741.714
where: short stacking energy: -295.901
Base-Backbone interact. energy: -2.422
local terms energy: -305.750025
where:
bonds (distance) C4'-P energy: -57.334
bonds (distance) P-C4' energy: -61.144
flat angles C4'-P-C4' energy: -64.935
flat angles P-C4'-P energy: -45.291
tors. eta vs tors. theta energy: -77.046
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: 6, replica: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1040.676671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.676671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.504295 (E_RNA)
where:
Base-Base interactions energy: -733.309
where: short stacking energy: -287.274
Base-Backbone interact. energy: -1.318
local terms energy: -306.877364
where:
bonds (distance) C4'-P energy: -66.899
bonds (distance) P-C4' energy: -61.959
flat angles C4'-P-C4' energy: -62.962
flat angles P-C4'-P energy: -42.412
tors. eta vs tors. theta energy: -72.646
Dist. restrs. and SS energy: 0.828 (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: 145
Temperature: 1.200000
Total energy: -1014.210068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.210068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.448058 (E_RNA)
where:
Base-Base interactions energy: -708.534
where: short stacking energy: -287.431
Base-Backbone interact. energy: -0.063
local terms energy: -308.851467
where:
bonds (distance) C4'-P energy: -60.045
bonds (distance) P-C4' energy: -56.927
flat angles C4'-P-C4' energy: -69.433
flat angles P-C4'-P energy: -50.918
tors. eta vs tors. theta energy: -71.529
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: 8, replica: 4
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -932.305544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.305544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.977030 (E_RNA)
where:
Base-Base interactions energy: -674.834
where: short stacking energy: -264.481
Base-Backbone interact. energy: -0.890
local terms energy: -258.252705
where:
bonds (distance) C4'-P energy: -49.273
bonds (distance) P-C4' energy: -46.496
flat angles C4'-P-C4' energy: -64.190
flat angles P-C4'-P energy: -32.886
tors. eta vs tors. theta energy: -65.408
Dist. restrs. and SS energy: 1.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -907.687264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.687264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.371185 (E_RNA)
where:
Base-Base interactions energy: -624.037
where: short stacking energy: -244.539
Base-Backbone interact. energy: -1.460
local terms energy: -287.874027
where:
bonds (distance) C4'-P energy: -54.602
bonds (distance) P-C4' energy: -57.003
flat angles C4'-P-C4' energy: -60.814
flat angles P-C4'-P energy: -47.121
tors. eta vs tors. theta energy: -68.334
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: 10, replica: 1
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -882.458078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.458078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.088008 (E_RNA)
where:
Base-Base interactions energy: -619.715
where: short stacking energy: -238.197
Base-Backbone interact. energy: -0.796
local terms energy: -264.577147
where:
bonds (distance) C4'-P energy: -61.039
bonds (distance) P-C4' energy: -54.411
flat angles C4'-P-C4' energy: -59.280
flat angles P-C4'-P energy: -31.390
tors. eta vs tors. theta energy: -58.456
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: 1, replica: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1279.087458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.087458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.047246 (E_RNA)
where:
Base-Base interactions energy: -892.558
where: short stacking energy: -361.315
Base-Backbone interact. energy: -1.898
local terms energy: -391.591664
where:
bonds (distance) C4'-P energy: -77.450
bonds (distance) P-C4' energy: -69.635
flat angles C4'-P-C4' energy: -76.519
flat angles P-C4'-P energy: -57.706
tors. eta vs tors. theta energy: -110.282
Dist. restrs. and SS energy: 6.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1203.990333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.990333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.671615 (E_RNA)
where:
Base-Base interactions energy: -826.347
where: short stacking energy: -339.040
Base-Backbone interact. energy: -1.204
local terms energy: -381.121028
where:
bonds (distance) C4'-P energy: -68.730
bonds (distance) P-C4' energy: -77.378
flat angles C4'-P-C4' energy: -74.512
flat angles P-C4'-P energy: -62.712
tors. eta vs tors. theta energy: -97.790
Dist. restrs. and SS energy: 4.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1152.372018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.372018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.582219 (E_RNA)
where:
Base-Base interactions energy: -813.947
where: short stacking energy: -338.843
Base-Backbone interact. energy: 0.152
local terms energy: -342.787308
where:
bonds (distance) C4'-P energy: -61.675
bonds (distance) P-C4' energy: -67.402
flat angles C4'-P-C4' energy: -72.009
flat angles P-C4'-P energy: -45.398
tors. eta vs tors. theta energy: -96.303
Dist. restrs. and SS energy: 4.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1083.761208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.761208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.796711 (E_RNA)
where:
Base-Base interactions energy: -755.847
where: short stacking energy: -311.145
Base-Backbone interact. energy: 2.595
local terms energy: -335.543846
where:
bonds (distance) C4'-P energy: -54.757
bonds (distance) P-C4' energy: -65.870
flat angles C4'-P-C4' energy: -78.708
flat angles P-C4'-P energy: -52.662
tors. eta vs tors. theta energy: -83.546
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: 5, replica: 7
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1049.857358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.857358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.653135 (E_RNA)
where:
Base-Base interactions energy: -727.556
where: short stacking energy: -299.781
Base-Backbone interact. energy: -2.676
local terms energy: -320.420708
where:
bonds (distance) C4'-P energy: -60.707
bonds (distance) P-C4' energy: -61.657
flat angles C4'-P-C4' energy: -71.021
flat angles P-C4'-P energy: -48.478
tors. eta vs tors. theta energy: -78.558
Dist. restrs. and SS energy: 0.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1011.672790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.672790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.456867 (E_RNA)
where:
Base-Base interactions energy: -719.950
where: short stacking energy: -294.779
Base-Backbone interact. energy: -3.365
local terms energy: -293.141333
where:
bonds (distance) C4'-P energy: -61.296
bonds (distance) P-C4' energy: -71.293
flat angles C4'-P-C4' energy: -42.593
flat angles P-C4'-P energy: -33.849
tors. eta vs tors. theta energy: -84.110
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: 7, replica: 4
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -966.944736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.944736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.181373 (E_RNA)
where:
Base-Base interactions energy: -671.967
where: short stacking energy: -265.387
Base-Backbone interact. energy: 0.117
local terms energy: -297.331244
where:
bonds (distance) C4'-P energy: -51.454
bonds (distance) P-C4' energy: -72.204
flat angles C4'-P-C4' energy: -59.932
flat angles P-C4'-P energy: -45.774
tors. eta vs tors. theta energy: -67.967
Dist. restrs. and SS energy: 2.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -977.259804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.259804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.862771 (E_RNA)
where:
Base-Base interactions energy: -676.505
where: short stacking energy: -266.921
Base-Backbone interact. energy: -1.747
local terms energy: -303.610895
where:
bonds (distance) C4'-P energy: -58.797
bonds (distance) P-C4' energy: -72.049
flat angles C4'-P-C4' energy: -65.592
flat angles P-C4'-P energy: -41.091
tors. eta vs tors. theta energy: -66.082
Dist. restrs. and SS energy: 4.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -930.694677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.694677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.648128 (E_RNA)
where:
Base-Base interactions energy: -653.310
where: short stacking energy: -255.252
Base-Backbone interact. energy: -1.176
local terms energy: -280.162484
where:
bonds (distance) C4'-P energy: -58.205
bonds (distance) P-C4' energy: -58.903
flat angles C4'-P-C4' energy: -65.907
flat angles P-C4'-P energy: -31.281
tors. eta vs tors. theta energy: -65.866
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: 10, replica: 1
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -883.422766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.422766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.939051 (E_RNA)
where:
Base-Base interactions energy: -632.877
where: short stacking energy: -245.156
Base-Backbone interact. energy: 5.471
local terms energy: -257.532696
where:
bonds (distance) C4'-P energy: -62.924
bonds (distance) P-C4' energy: -44.653
flat angles C4'-P-C4' energy: -63.061
flat angles P-C4'-P energy: -30.460
tors. eta vs tors. theta energy: -56.435
Dist. restrs. and SS energy: 1.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1271.406901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.406901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.649422 (E_RNA)
where:
Base-Base interactions energy: -893.969
where: short stacking energy: -371.800
Base-Backbone interact. energy: -1.693
local terms energy: -382.987655
where:
bonds (distance) C4'-P energy: -65.035
bonds (distance) P-C4' energy: -63.714
flat angles C4'-P-C4' energy: -79.449
flat angles P-C4'-P energy: -64.784
tors. eta vs tors. theta energy: -110.004
Dist. restrs. and SS energy: 7.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1204.206562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.206562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.212829 (E_RNA)
where:
Base-Base interactions energy: -818.483
where: short stacking energy: -344.874
Base-Backbone interact. energy: -2.078
local terms energy: -388.651060
where:
bonds (distance) C4'-P energy: -76.139
bonds (distance) P-C4' energy: -76.557
flat angles C4'-P-C4' energy: -77.656
flat angles P-C4'-P energy: -54.076
tors. eta vs tors. theta energy: -104.224
Dist. restrs. and SS energy: 5.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1183.116794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.116794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.192762 (E_RNA)
where:
Base-Base interactions energy: -812.248
where: short stacking energy: -335.610
Base-Backbone interact. energy: -0.934
local terms energy: -373.010228
where:
bonds (distance) C4'-P energy: -73.149
bonds (distance) P-C4' energy: -72.059
flat angles C4'-P-C4' energy: -80.686
flat angles P-C4'-P energy: -55.345
tors. eta vs tors. theta energy: -91.772
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: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1134.026584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.026584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.645508 (E_RNA)
where:
Base-Base interactions energy: -777.849
where: short stacking energy: -338.919
Base-Backbone interact. energy: -1.671
local terms energy: -359.126265
where:
bonds (distance) C4'-P energy: -66.654
bonds (distance) P-C4' energy: -67.119
flat angles C4'-P-C4' energy: -66.032
flat angles P-C4'-P energy: -53.077
tors. eta vs tors. theta energy: -106.245
Dist. restrs. and SS energy: 4.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1100.664974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.664974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.080708 (E_RNA)
where:
Base-Base interactions energy: -770.488
where: short stacking energy: -318.927
Base-Backbone interact. energy: 0.862
local terms energy: -332.454631
where:
bonds (distance) C4'-P energy: -68.708
bonds (distance) P-C4' energy: -70.014
flat angles C4'-P-C4' energy: -67.311
flat angles P-C4'-P energy: -44.923
tors. eta vs tors. theta energy: -81.498
Dist. restrs. and SS energy: 1.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1024.639102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.639102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.810796 (E_RNA)
where:
Base-Base interactions energy: -719.352
where: short stacking energy: -312.790
Base-Backbone interact. energy: -1.817
local terms energy: -305.641765
where:
bonds (distance) C4'-P energy: -46.401
bonds (distance) P-C4' energy: -66.201
flat angles C4'-P-C4' energy: -65.018
flat angles P-C4'-P energy: -41.191
tors. eta vs tors. theta energy: -86.831
Dist. restrs. and SS energy: 2.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -977.359348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.359348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.202244 (E_RNA)
where:
Base-Base interactions energy: -688.892
where: short stacking energy: -286.743
Base-Backbone interact. energy: 0.153
local terms energy: -289.462770
where:
bonds (distance) C4'-P energy: -49.678
bonds (distance) P-C4' energy: -56.419
flat angles C4'-P-C4' energy: -62.564
flat angles P-C4'-P energy: -46.639
tors. eta vs tors. theta energy: -74.163
Dist. restrs. and SS energy: 0.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -960.065533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.065533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.234741 (E_RNA)
where:
Base-Base interactions energy: -685.558
where: short stacking energy: -259.263
Base-Backbone interact. energy: -1.637
local terms energy: -283.039818
where:
bonds (distance) C4'-P energy: -53.415
bonds (distance) P-C4' energy: -60.485
flat angles C4'-P-C4' energy: -64.662
flat angles P-C4'-P energy: -37.101
tors. eta vs tors. theta energy: -67.377
Dist. restrs. and SS energy: 10.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -894.541260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.541260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.461525 (E_RNA)
where:
Base-Base interactions energy: -639.397
where: short stacking energy: -241.403
Base-Backbone interact. energy: -0.270
local terms energy: -258.794534
where:
bonds (distance) C4'-P energy: -43.459
bonds (distance) P-C4' energy: -54.138
flat angles C4'-P-C4' energy: -69.063
flat angles P-C4'-P energy: -38.983
tors. eta vs tors. theta energy: -53.151
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: 10, replica: 1
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -885.077904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.077904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.901215 (E_RNA)
where:
Base-Base interactions energy: -627.245
where: short stacking energy: -229.783
Base-Backbone interact. energy: -1.837
local terms energy: -263.820018
where:
bonds (distance) C4'-P energy: -43.807
bonds (distance) P-C4' energy: -62.461
flat angles C4'-P-C4' energy: -61.257
flat angles P-C4'-P energy: -40.129
tors. eta vs tors. theta energy: -56.166
Dist. restrs. and SS energy: 7.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1237.263251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.263251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.068401 (E_RNA)
where:
Base-Base interactions energy: -871.715
where: short stacking energy: -350.577
Base-Backbone interact. energy: 1.341
local terms energy: -375.694359
where:
bonds (distance) C4'-P energy: -71.110
bonds (distance) P-C4' energy: -70.427
flat angles C4'-P-C4' energy: -80.016
flat angles P-C4'-P energy: -55.610
tors. eta vs tors. theta energy: -98.531
Dist. restrs. and SS energy: 8.805 (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: 10
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1191.621908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.621908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.083954 (E_RNA)
where:
Base-Base interactions energy: -814.050
where: short stacking energy: -340.443
Base-Backbone interact. energy: -0.269
local terms energy: -380.765492
where:
bonds (distance) C4'-P energy: -74.954
bonds (distance) P-C4' energy: -74.584
flat angles C4'-P-C4' energy: -76.856
flat angles P-C4'-P energy: -52.831
tors. eta vs tors. theta energy: -101.541
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: 6
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1146.729122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.729122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.030853 (E_RNA)
where:
Base-Base interactions energy: -805.110
where: short stacking energy: -327.608
Base-Backbone interact. energy: -1.419
local terms energy: -344.501938
where:
bonds (distance) C4'-P energy: -58.757
bonds (distance) P-C4' energy: -64.649
flat angles C4'-P-C4' energy: -75.066
flat angles P-C4'-P energy: -53.061
tors. eta vs tors. theta energy: -92.969
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: 4, replica: 8
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1119.437024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.437024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.269150 (E_RNA)
where:
Base-Base interactions energy: -773.109
where: short stacking energy: -301.640
Base-Backbone interact. energy: -0.585
local terms energy: -348.575840
where:
bonds (distance) C4'-P energy: -53.575
bonds (distance) P-C4' energy: -77.157
flat angles C4'-P-C4' energy: -71.881
flat angles P-C4'-P energy: -55.807
tors. eta vs tors. theta energy: -90.155
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: 3
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1053.504574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.504574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.734993 (E_RNA)
where:
Base-Base interactions energy: -758.346
where: short stacking energy: -306.755
Base-Backbone interact. energy: -1.630
local terms energy: -294.758962
where:
bonds (distance) C4'-P energy: -34.289
bonds (distance) P-C4' energy: -55.726
flat angles C4'-P-C4' energy: -68.829
flat angles P-C4'-P energy: -45.735
tors. eta vs tors. theta energy: -90.180
Dist. restrs. and SS energy: 1.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1069.652566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.652566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.974011 (E_RNA)
where:
Base-Base interactions energy: -747.604
where: short stacking energy: -307.356
Base-Backbone interact. energy: -0.368
local terms energy: -325.002952
where:
bonds (distance) C4'-P energy: -61.485
bonds (distance) P-C4' energy: -62.704
flat angles C4'-P-C4' energy: -70.489
flat angles P-C4'-P energy: -48.720
tors. eta vs tors. theta energy: -81.605
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: 7, replica: 5
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -993.890275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.890275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.432084 (E_RNA)
where:
Base-Base interactions energy: -698.719
where: short stacking energy: -276.441
Base-Backbone interact. energy: 1.529
local terms energy: -301.241992
where:
bonds (distance) C4'-P energy: -56.547
bonds (distance) P-C4' energy: -52.880
flat angles C4'-P-C4' energy: -73.764
flat angles P-C4'-P energy: -46.589
tors. eta vs tors. theta energy: -71.462
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: 8, replica: 4
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -967.679980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.679980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.374290 (E_RNA)
where:
Base-Base interactions energy: -678.959
where: short stacking energy: -266.507
Base-Backbone interact. energy: -1.552
local terms energy: -290.863511
where:
bonds (distance) C4'-P energy: -49.226
bonds (distance) P-C4' energy: -69.911
flat angles C4'-P-C4' energy: -65.070
flat angles P-C4'-P energy: -31.413
tors. eta vs tors. theta energy: -75.244
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: 9, replica: 2
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -894.127686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.127686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.084099 (E_RNA)
where:
Base-Base interactions energy: -631.485
where: short stacking energy: -237.595
Base-Backbone interact. energy: -1.574
local terms energy: -262.025649
where:
bonds (distance) C4'-P energy: -61.741
bonds (distance) P-C4' energy: -47.381
flat angles C4'-P-C4' energy: -56.164
flat angles P-C4'-P energy: -43.711
tors. eta vs tors. theta energy: -53.030
Dist. restrs. and SS energy: 0.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -856.400041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.400041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.083978 (E_RNA)
where:
Base-Base interactions energy: -588.760
where: short stacking energy: -240.400
Base-Backbone interact. energy: 0.971
local terms energy: -274.294928
where:
bonds (distance) C4'-P energy: -53.027
bonds (distance) P-C4' energy: -66.326
flat angles C4'-P-C4' energy: -62.728
flat angles P-C4'-P energy: -34.730
tors. eta vs tors. theta energy: -57.485
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: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1250.698361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.698361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.286193 (E_RNA)
where:
Base-Base interactions energy: -869.179
where: short stacking energy: -362.406
Base-Backbone interact. energy: -0.887
local terms energy: -387.219826
where:
bonds (distance) C4'-P energy: -74.039
bonds (distance) P-C4' energy: -66.645
flat angles C4'-P-C4' energy: -80.498
flat angles P-C4'-P energy: -60.571
tors. eta vs tors. theta energy: -105.467
Dist. restrs. and SS energy: 6.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1210.486614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.486614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.139531 (E_RNA)
where:
Base-Base interactions energy: -843.461
where: short stacking energy: -354.148
Base-Backbone interact. energy: -0.997
local terms energy: -369.680843
where:
bonds (distance) C4'-P energy: -63.887
bonds (distance) P-C4' energy: -71.541
flat angles C4'-P-C4' energy: -78.697
flat angles P-C4'-P energy: -50.213
tors. eta vs tors. theta energy: -105.343
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: 3, replica: 6
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1135.413754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.413754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.425113 (E_RNA)
where:
Base-Base interactions energy: -783.870
where: short stacking energy: -343.244
Base-Backbone interact. energy: -0.653
local terms energy: -355.902286
where:
bonds (distance) C4'-P energy: -59.731
bonds (distance) P-C4' energy: -72.828
flat angles C4'-P-C4' energy: -76.000
flat angles P-C4'-P energy: -54.819
tors. eta vs tors. theta energy: -92.523
Dist. restrs. and SS energy: 5.011 (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: 149
Temperature: 1.050000
Total energy: -1145.872234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.872234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.298753 (E_RNA)
where:
Base-Base interactions energy: -789.704
where: short stacking energy: -328.903
Base-Backbone interact. energy: -0.875
local terms energy: -358.719576
where:
bonds (distance) C4'-P energy: -68.298
bonds (distance) P-C4' energy: -81.244
flat angles C4'-P-C4' energy: -71.943
flat angles P-C4'-P energy: -45.142
tors. eta vs tors. theta energy: -92.093
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: 5, replica: 3
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1039.228544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.228544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.412198 (E_RNA)
where:
Base-Base interactions energy: -706.895
where: short stacking energy: -304.644
Base-Backbone interact. energy: -3.039
local terms energy: -333.478369
where:
bonds (distance) C4'-P energy: -59.669
bonds (distance) P-C4' energy: -62.576
flat angles C4'-P-C4' energy: -67.427
flat angles P-C4'-P energy: -57.352
tors. eta vs tors. theta energy: -86.455
Dist. restrs. and SS energy: 4.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1024.858932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.858932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.648386 (E_RNA)
where:
Base-Base interactions energy: -699.129
where: short stacking energy: -283.453
Base-Backbone interact. energy: 0.884
local terms energy: -335.402981
where:
bonds (distance) C4'-P energy: -72.112
bonds (distance) P-C4' energy: -62.984
flat angles C4'-P-C4' energy: -75.131
flat angles P-C4'-P energy: -54.389
tors. eta vs tors. theta energy: -70.786
Dist. restrs. and SS energy: 8.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -997.284222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.284222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.522432 (E_RNA)
where:
Base-Base interactions energy: -700.498
where: short stacking energy: -285.251
Base-Backbone interact. energy: 0.083
local terms energy: -308.107608
where:
bonds (distance) C4'-P energy: -57.887
bonds (distance) P-C4' energy: -60.099
flat angles C4'-P-C4' energy: -76.257
flat angles P-C4'-P energy: -48.267
tors. eta vs tors. theta energy: -65.597
Dist. restrs. and SS energy: 11.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -951.821323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.821323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.941906 (E_RNA)
where:
Base-Base interactions energy: -659.127
where: short stacking energy: -267.475
Base-Backbone interact. energy: -1.636
local terms energy: -295.178661
where:
bonds (distance) C4'-P energy: -57.773
bonds (distance) P-C4' energy: -58.895
flat angles C4'-P-C4' energy: -63.171
flat angles P-C4'-P energy: -39.758
tors. eta vs tors. theta energy: -75.582
Dist. restrs. and SS energy: 4.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -892.387703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.387703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.299635 (E_RNA)
where:
Base-Base interactions energy: -621.976
where: short stacking energy: -238.845
Base-Backbone interact. energy: -2.647
local terms energy: -271.676815
where:
bonds (distance) C4'-P energy: -58.171
bonds (distance) P-C4' energy: -47.671
flat angles C4'-P-C4' energy: -62.699
flat angles P-C4'-P energy: -47.969
tors. eta vs tors. theta energy: -55.167
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: 10, replica: 1
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -890.780623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.780623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.210007 (E_RNA)
where:
Base-Base interactions energy: -608.233
where: short stacking energy: -252.254
Base-Backbone interact. energy: -1.629
local terms energy: -290.347856
where:
bonds (distance) C4'-P energy: -56.957
bonds (distance) P-C4' energy: -64.508
flat angles C4'-P-C4' energy: -58.972
flat angles P-C4'-P energy: -42.280
tors. eta vs tors. theta energy: -67.630
Dist. restrs. and SS energy: 9.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1226.432173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.432173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.146760 (E_RNA)
where:
Base-Base interactions energy: -861.184
where: short stacking energy: -349.979
Base-Backbone interact. energy: -2.401
local terms energy: -366.562011
where:
bonds (distance) C4'-P energy: -66.415
bonds (distance) P-C4' energy: -69.998
flat angles C4'-P-C4' energy: -71.305
flat angles P-C4'-P energy: -52.454
tors. eta vs tors. theta energy: -106.390
Dist. restrs. and SS energy: 3.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1254.523427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.523427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.713248 (E_RNA)
where:
Base-Base interactions energy: -875.948
where: short stacking energy: -369.073
Base-Backbone interact. energy: -2.120
local terms energy: -384.645652
where:
bonds (distance) C4'-P energy: -70.955
bonds (distance) P-C4' energy: -70.374
flat angles C4'-P-C4' energy: -76.638
flat angles P-C4'-P energy: -55.352
tors. eta vs tors. theta energy: -111.326
Dist. restrs. and SS energy: 8.190 (S_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: -1173.752720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.752720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.725387 (E_RNA)
where:
Base-Base interactions energy: -814.350
where: short stacking energy: -319.597
Base-Backbone interact. energy: -0.283
local terms energy: -362.092896
where:
bonds (distance) C4'-P energy: -75.988
bonds (distance) P-C4' energy: -76.487
flat angles C4'-P-C4' energy: -74.892
flat angles P-C4'-P energy: -47.523
tors. eta vs tors. theta energy: -87.203
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: 4, replica: 6
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1114.684088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.684088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.349002 (E_RNA)
where:
Base-Base interactions energy: -768.723
where: short stacking energy: -323.835
Base-Backbone interact. energy: -1.662
local terms energy: -347.964048
where:
bonds (distance) C4'-P energy: -62.225
bonds (distance) P-C4' energy: -69.339
flat angles C4'-P-C4' energy: -75.112
flat angles P-C4'-P energy: -50.941
tors. eta vs tors. theta energy: -90.347
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: 5, replica: 3
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1073.414429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.414429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.839071 (E_RNA)
where:
Base-Base interactions energy: -760.826
where: short stacking energy: -311.876
Base-Backbone interact. energy: -2.221
local terms energy: -312.792381
where:
bonds (distance) C4'-P energy: -54.724
bonds (distance) P-C4' energy: -57.510
flat angles C4'-P-C4' energy: -71.853
flat angles P-C4'-P energy: -56.448
tors. eta vs tors. theta energy: -72.257
Dist. restrs. and SS energy: 2.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1063.214808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.214808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.076941 (E_RNA)
where:
Base-Base interactions energy: -750.682
where: short stacking energy: -296.845
Base-Backbone interact. energy: -2.978
local terms energy: -313.416939
where:
bonds (distance) C4'-P energy: -62.518
bonds (distance) P-C4' energy: -55.086
flat angles C4'-P-C4' energy: -71.594
flat angles P-C4'-P energy: -48.882
tors. eta vs tors. theta energy: -75.336
Dist. restrs. and SS energy: 3.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -963.937971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.937971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.795890 (E_RNA)
where:
Base-Base interactions energy: -679.620
where: short stacking energy: -267.266
Base-Backbone interact. energy: -2.464
local terms energy: -283.711964
where:
bonds (distance) C4'-P energy: -60.761
bonds (distance) P-C4' energy: -48.959
flat angles C4'-P-C4' energy: -59.571
flat angles P-C4'-P energy: -39.750
tors. eta vs tors. theta energy: -74.671
Dist. restrs. and SS energy: 1.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -978.853252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.853252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.638396 (E_RNA)
where:
Base-Base interactions energy: -676.296
where: short stacking energy: -276.280
Base-Backbone interact. energy: -2.327
local terms energy: -301.015151
where:
bonds (distance) C4'-P energy: -57.856
bonds (distance) P-C4' energy: -60.110
flat angles C4'-P-C4' energy: -60.872
flat angles P-C4'-P energy: -41.440
tors. eta vs tors. theta energy: -80.737
Dist. restrs. and SS energy: 0.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -902.674787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.674787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.700016 (E_RNA)
where:
Base-Base interactions energy: -643.707
where: short stacking energy: -239.489
Base-Backbone interact. energy: 0.384
local terms energy: -261.377703
where:
bonds (distance) C4'-P energy: -62.446
bonds (distance) P-C4' energy: -48.940
flat angles C4'-P-C4' energy: -57.731
flat angles P-C4'-P energy: -38.654
tors. eta vs tors. theta energy: -53.607
Dist. restrs. and SS energy: 2.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -872.847743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.847743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.695938 (E_RNA)
where:
Base-Base interactions energy: -631.075
where: short stacking energy: -252.271
Base-Backbone interact. energy: -1.378
local terms energy: -248.243250
where:
bonds (distance) C4'-P energy: -42.054
bonds (distance) P-C4' energy: -56.843
flat angles C4'-P-C4' energy: -40.634
flat angles P-C4'-P energy: -42.752
tors. eta vs tors. theta energy: -65.960
Dist. restrs. and SS energy: 7.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1244.786917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.786917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.953753 (E_RNA)
where:
Base-Base interactions energy: -867.791
where: short stacking energy: -378.688
Base-Backbone interact. energy: 0.250
local terms energy: -380.412862
where:
bonds (distance) C4'-P energy: -70.857
bonds (distance) P-C4' energy: -64.274
flat angles C4'-P-C4' energy: -80.999
flat angles P-C4'-P energy: -52.812
tors. eta vs tors. theta energy: -111.471
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: 2, replica: 9
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1237.588329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.588329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.111540 (E_RNA)
where:
Base-Base interactions energy: -883.131
where: short stacking energy: -359.623
Base-Backbone interact. energy: -0.167
local terms energy: -360.813427
where:
bonds (distance) C4'-P energy: -66.302
bonds (distance) P-C4' energy: -68.074
flat angles C4'-P-C4' energy: -78.357
flat angles P-C4'-P energy: -50.014
tors. eta vs tors. theta energy: -98.066
Dist. restrs. and SS energy: 6.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1144.842168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.842168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.774737 (E_RNA)
where:
Base-Base interactions energy: -798.575
where: short stacking energy: -321.970
Base-Backbone interact. energy: -2.974
local terms energy: -347.224878
where:
bonds (distance) C4'-P energy: -62.693
bonds (distance) P-C4' energy: -69.274
flat angles C4'-P-C4' energy: -75.396
flat angles P-C4'-P energy: -57.104
tors. eta vs tors. theta energy: -82.758
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: 4, replica: 6
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1112.859031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.859031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.244552 (E_RNA)
where:
Base-Base interactions energy: -788.967
where: short stacking energy: -334.594
Base-Backbone interact. energy: -0.369
local terms energy: -327.908931
where:
bonds (distance) C4'-P energy: -46.329
bonds (distance) P-C4' energy: -72.845
flat angles C4'-P-C4' energy: -72.254
flat angles P-C4'-P energy: -44.914
tors. eta vs tors. theta energy: -91.566
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: 5, replica: 3
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1043.014681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.014681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.204589 (E_RNA)
where:
Base-Base interactions energy: -713.680
where: short stacking energy: -278.306
Base-Backbone interact. energy: -0.942
local terms energy: -332.582448
where:
bonds (distance) C4'-P energy: -55.816
bonds (distance) P-C4' energy: -71.970
flat angles C4'-P-C4' energy: -75.671
flat angles P-C4'-P energy: -52.653
tors. eta vs tors. theta energy: -76.472
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: 7
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1036.463718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.463718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.252693 (E_RNA)
where:
Base-Base interactions energy: -724.207
where: short stacking energy: -299.841
Base-Backbone interact. energy: -2.947
local terms energy: -314.098288
where:
bonds (distance) C4'-P energy: -58.898
bonds (distance) P-C4' energy: -50.430
flat angles C4'-P-C4' energy: -69.690
flat angles P-C4'-P energy: -49.094
tors. eta vs tors. theta energy: -85.986
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: 7, replica: 5
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -987.009232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.009232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.824224 (E_RNA)
where:
Base-Base interactions energy: -683.917
where: short stacking energy: -269.215
Base-Backbone interact. energy: 0.459
local terms energy: -306.365610
where:
bonds (distance) C4'-P energy: -45.036
bonds (distance) P-C4' energy: -65.019
flat angles C4'-P-C4' energy: -71.742
flat angles P-C4'-P energy: -48.572
tors. eta vs tors. theta energy: -75.996
Dist. restrs. and SS energy: 2.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -978.988354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.988354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.495636 (E_RNA)
where:
Base-Base interactions energy: -701.731
where: short stacking energy: -290.019
Base-Backbone interact. energy: 5.710
local terms energy: -287.474933
where:
bonds (distance) C4'-P energy: -50.740
bonds (distance) P-C4' energy: -52.927
flat angles C4'-P-C4' energy: -69.721
flat angles P-C4'-P energy: -32.627
tors. eta vs tors. theta energy: -81.459
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: 9, replica: 4
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -954.400066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.400066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.099420 (E_RNA)
where:
Base-Base interactions energy: -656.151
where: short stacking energy: -265.027
Base-Backbone interact. energy: -1.501
local terms energy: -300.447841
where:
bonds (distance) C4'-P energy: -63.773
bonds (distance) P-C4' energy: -62.208
flat angles C4'-P-C4' energy: -62.768
flat angles P-C4'-P energy: -45.826
tors. eta vs tors. theta energy: -65.873
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: 10, replica: 2
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -899.708218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.708218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.266820 (E_RNA)
where:
Base-Base interactions energy: -627.098
where: short stacking energy: -257.630
Base-Backbone interact. energy: -0.786
local terms energy: -274.382955
where:
bonds (distance) C4'-P energy: -45.947
bonds (distance) P-C4' energy: -61.573
flat angles C4'-P-C4' energy: -59.784
flat angles P-C4'-P energy: -34.470
tors. eta vs tors. theta energy: -72.609
Dist. restrs. and SS energy: 2.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1239.681410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.681410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.323096 (E_RNA)
where:
Base-Base interactions energy: -862.346
where: short stacking energy: -344.784
Base-Backbone interact. energy: -1.091
local terms energy: -379.886685
where:
bonds (distance) C4'-P energy: -66.398
bonds (distance) P-C4' energy: -72.570
flat angles C4'-P-C4' energy: -81.936
flat angles P-C4'-P energy: -56.808
tors. eta vs tors. theta energy: -102.175
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: 2, replica: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1216.258382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.258382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.504620 (E_RNA)
where:
Base-Base interactions energy: -850.250
where: short stacking energy: -349.848
Base-Backbone interact. energy: -1.573
local terms energy: -369.681974
where:
bonds (distance) C4'-P energy: -65.829
bonds (distance) P-C4' energy: -70.855
flat angles C4'-P-C4' energy: -83.505
flat angles P-C4'-P energy: -52.318
tors. eta vs tors. theta energy: -97.175
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: 3, replica: 6
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1164.985638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.985638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.620256 (E_RNA)
where:
Base-Base interactions energy: -792.693
where: short stacking energy: -322.953
Base-Backbone interact. energy: -3.939
local terms energy: -372.988367
where:
bonds (distance) C4'-P energy: -71.420
bonds (distance) P-C4' energy: -67.622
flat angles C4'-P-C4' energy: -76.612
flat angles P-C4'-P energy: -57.416
tors. eta vs tors. theta energy: -99.918
Dist. restrs. and SS energy: 4.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1115.525711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.525711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.570598 (E_RNA)
where:
Base-Base interactions energy: -768.753
where: short stacking energy: -311.071
Base-Backbone interact. energy: -1.197
local terms energy: -350.620816
where:
bonds (distance) C4'-P energy: -67.955
bonds (distance) P-C4' energy: -69.533
flat angles C4'-P-C4' energy: -76.948
flat angles P-C4'-P energy: -51.870
tors. eta vs tors. theta energy: -84.315
Dist. restrs. and SS energy: 5.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1087.574592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.574592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.988674 (E_RNA)
where:
Base-Base interactions energy: -746.115
where: short stacking energy: -301.299
Base-Backbone interact. energy: -2.409
local terms energy: -342.465216
where:
bonds (distance) C4'-P energy: -65.598
bonds (distance) P-C4' energy: -66.804
flat angles C4'-P-C4' energy: -73.192
flat angles P-C4'-P energy: -53.887
tors. eta vs tors. theta energy: -82.984
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: 6, replica: 3
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1036.719921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.719921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.338930 (E_RNA)
where:
Base-Base interactions energy: -734.474
where: short stacking energy: -317.079
Base-Backbone interact. energy: 0.882
local terms energy: -310.746682
where:
bonds (distance) C4'-P energy: -45.255
bonds (distance) P-C4' energy: -55.138
flat angles C4'-P-C4' energy: -75.874
flat angles P-C4'-P energy: -47.601
tors. eta vs tors. theta energy: -86.878
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: 7, replica: 1
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -983.545353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.545353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.949903 (E_RNA)
where:
Base-Base interactions energy: -681.530
where: short stacking energy: -265.293
Base-Backbone interact. energy: -3.223
local terms energy: -302.197109
where:
bonds (distance) C4'-P energy: -69.401
bonds (distance) P-C4' energy: -57.141
flat angles C4'-P-C4' energy: -70.816
flat angles P-C4'-P energy: -41.276
tors. eta vs tors. theta energy: -63.563
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: 5
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -954.168602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.168602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.569145 (E_RNA)
where:
Base-Base interactions energy: -670.170
where: short stacking energy: -271.476
Base-Backbone interact. energy: -1.183
local terms energy: -289.216050
where:
bonds (distance) C4'-P energy: -49.036
bonds (distance) P-C4' energy: -70.729
flat angles C4'-P-C4' energy: -66.282
flat angles P-C4'-P energy: -45.000
tors. eta vs tors. theta energy: -58.168
Dist. restrs. and SS energy: 6.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -913.541046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.541046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.614521 (E_RNA)
where:
Base-Base interactions energy: -627.267
where: short stacking energy: -262.117
Base-Backbone interact. energy: -0.783
local terms energy: -290.564853
where:
bonds (distance) C4'-P energy: -58.524
bonds (distance) P-C4' energy: -74.482
flat angles C4'-P-C4' energy: -64.220
flat angles P-C4'-P energy: -31.727
tors. eta vs tors. theta energy: -61.612
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: 10, replica: 4
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -936.501157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.501157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.800498 (E_RNA)
where:
Base-Base interactions energy: -643.381
where: short stacking energy: -264.556
Base-Backbone interact. energy: -2.245
local terms energy: -292.175025
where:
bonds (distance) C4'-P energy: -56.448
bonds (distance) P-C4' energy: -49.776
flat angles C4'-P-C4' energy: -65.461
flat angles P-C4'-P energy: -46.525
tors. eta vs tors. theta energy: -73.965
Dist. restrs. and SS energy: 1.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1242.554880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.554880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.457323 (E_RNA)
where:
Base-Base interactions energy: -870.576
where: short stacking energy: -352.859
Base-Backbone interact. energy: -1.734
local terms energy: -373.147218
where:
bonds (distance) C4'-P energy: -70.164
bonds (distance) P-C4' energy: -68.295
flat angles C4'-P-C4' energy: -76.397
flat angles P-C4'-P energy: -58.975
tors. eta vs tors. theta energy: -99.316
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: 2, replica: 9
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1226.141409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.141409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.461960 (E_RNA)
where:
Base-Base interactions energy: -853.348
where: short stacking energy: -354.811
Base-Backbone interact. energy: -1.054
local terms energy: -377.060625
where:
bonds (distance) C4'-P energy: -68.168
bonds (distance) P-C4' energy: -72.997
flat angles C4'-P-C4' energy: -76.836
flat angles P-C4'-P energy: -50.880
tors. eta vs tors. theta energy: -108.179
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: 3, replica: 6
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1152.488826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.488826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.979556 (E_RNA)
where:
Base-Base interactions energy: -793.778
where: short stacking energy: -339.865
Base-Backbone interact. energy: -2.534
local terms energy: -361.667964
where:
bonds (distance) C4'-P energy: -61.895
bonds (distance) P-C4' energy: -68.921
flat angles C4'-P-C4' energy: -81.057
flat angles P-C4'-P energy: -45.885
tors. eta vs tors. theta energy: -103.909
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: 4, replica: 8
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1094.455301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.455301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.446111 (E_RNA)
where:
Base-Base interactions energy: -762.768
where: short stacking energy: -308.014
Base-Backbone interact. energy: 0.392
local terms energy: -335.070562
where:
bonds (distance) C4'-P energy: -54.042
bonds (distance) P-C4' energy: -80.354
flat angles C4'-P-C4' energy: -68.148
flat angles P-C4'-P energy: -51.294
tors. eta vs tors. theta energy: -81.233
Dist. restrs. and SS energy: 2.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1068.449831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.449831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.840837 (E_RNA)
where:
Base-Base interactions energy: -757.564
where: short stacking energy: -303.479
Base-Backbone interact. energy: -1.561
local terms energy: -313.715046
where:
bonds (distance) C4'-P energy: -49.590
bonds (distance) P-C4' energy: -67.740
flat angles C4'-P-C4' energy: -69.088
flat angles P-C4'-P energy: -45.073
tors. eta vs tors. theta energy: -82.224
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: 6, replica: 3
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1027.413995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.413995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.720215 (E_RNA)
where:
Base-Base interactions energy: -686.654
where: short stacking energy: -289.143
Base-Backbone interact. energy: -2.175
local terms energy: -340.890994
where:
bonds (distance) C4'-P energy: -61.248
bonds (distance) P-C4' energy: -68.853
flat angles C4'-P-C4' energy: -72.745
flat angles P-C4'-P energy: -54.365
tors. eta vs tors. theta energy: -83.680
Dist. restrs. and SS energy: 2.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -978.138668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.138668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.565861 (E_RNA)
where:
Base-Base interactions energy: -657.176
where: short stacking energy: -273.938
Base-Backbone interact. energy: 1.621
local terms energy: -326.011068
where:
bonds (distance) C4'-P energy: -66.197
bonds (distance) P-C4' energy: -62.632
flat angles C4'-P-C4' energy: -63.893
flat angles P-C4'-P energy: -45.546
tors. eta vs tors. theta energy: -87.743
Dist. restrs. and SS energy: 3.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -953.678013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.678013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.215932 (E_RNA)
where:
Base-Base interactions energy: -666.271
where: short stacking energy: -270.251
Base-Backbone interact. energy: -2.237
local terms energy: -289.707243
where:
bonds (distance) C4'-P energy: -55.673
bonds (distance) P-C4' energy: -67.568
flat angles C4'-P-C4' energy: -58.597
flat angles P-C4'-P energy: -39.260
tors. eta vs tors. theta energy: -68.610
Dist. restrs. and SS energy: 4.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -954.124845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.124845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.025303 (E_RNA)
where:
Base-Base interactions energy: -677.775
where: short stacking energy: -270.033
Base-Backbone interact. energy: 1.095
local terms energy: -282.345408
where:
bonds (distance) C4'-P energy: -57.037
bonds (distance) P-C4' energy: -48.826
flat angles C4'-P-C4' energy: -65.710
flat angles P-C4'-P energy: -34.954
tors. eta vs tors. theta energy: -75.817
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: 10, replica: 4
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -934.645674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.645674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.564328 (E_RNA)
where:
Base-Base interactions energy: -656.796
where: short stacking energy: -256.336
Base-Backbone interact. energy: -1.867
local terms energy: -276.901767
where:
bonds (distance) C4'-P energy: -60.658
bonds (distance) P-C4' energy: -50.402
flat angles C4'-P-C4' energy: -59.990
flat angles P-C4'-P energy: -34.177
tors. eta vs tors. theta energy: -71.675
Dist. restrs. and SS energy: 0.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1261.625007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.625007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.639148 (E_RNA)
where:
Base-Base interactions energy: -866.025
where: short stacking energy: -358.550
Base-Backbone interact. energy: 0.009
local terms energy: -401.623326
where:
bonds (distance) C4'-P energy: -78.421
bonds (distance) P-C4' energy: -77.679
flat angles C4'-P-C4' energy: -85.016
flat angles P-C4'-P energy: -56.110
tors. eta vs tors. theta energy: -104.397
Dist. restrs. and SS energy: 6.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1213.929012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.929012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.580677 (E_RNA)
where:
Base-Base interactions energy: -848.321
where: short stacking energy: -354.335
Base-Backbone interact. energy: -2.543
local terms energy: -366.716935
where:
bonds (distance) C4'-P energy: -72.594
bonds (distance) P-C4' energy: -53.360
flat angles C4'-P-C4' energy: -80.549
flat angles P-C4'-P energy: -57.457
tors. eta vs tors. theta energy: -102.757
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: 6
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1149.587640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.587640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.887520 (E_RNA)
where:
Base-Base interactions energy: -785.794
where: short stacking energy: -333.356
Base-Backbone interact. energy: -2.681
local terms energy: -365.411650
where:
bonds (distance) C4'-P energy: -70.562
bonds (distance) P-C4' energy: -67.383
flat angles C4'-P-C4' energy: -76.659
flat angles P-C4'-P energy: -52.122
tors. eta vs tors. theta energy: -98.686
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: 4, replica: 8
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1149.088771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.088771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.183794 (E_RNA)
where:
Base-Base interactions energy: -800.457
where: short stacking energy: -309.021
Base-Backbone interact. energy: 0.158
local terms energy: -353.885114
where:
bonds (distance) C4'-P energy: -68.170
bonds (distance) P-C4' energy: -69.877
flat angles C4'-P-C4' energy: -69.239
flat angles P-C4'-P energy: -56.654
tors. eta vs tors. theta energy: -89.946
Dist. restrs. and SS energy: 5.095 (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: 3
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1016.126210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.126210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.972431 (E_RNA)
where:
Base-Base interactions energy: -709.406
where: short stacking energy: -288.645
Base-Backbone interact. energy: -0.398
local terms energy: -309.168601
where:
bonds (distance) C4'-P energy: -54.098
bonds (distance) P-C4' energy: -72.604
flat angles C4'-P-C4' energy: -56.761
flat angles P-C4'-P energy: -48.353
tors. eta vs tors. theta energy: -77.353
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: 6, replica: 7
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1059.893167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.893167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.447120 (E_RNA)
where:
Base-Base interactions energy: -722.145
where: short stacking energy: -294.641
Base-Backbone interact. energy: 0.703
local terms energy: -342.005208
where:
bonds (distance) C4'-P energy: -59.593
bonds (distance) P-C4' energy: -74.739
flat angles C4'-P-C4' energy: -78.103
flat angles P-C4'-P energy: -49.212
tors. eta vs tors. theta energy: -80.358
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: 1
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -976.465070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.465070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.952028 (E_RNA)
where:
Base-Base interactions energy: -688.697
where: short stacking energy: -269.931
Base-Backbone interact. energy: 3.910
local terms energy: -294.164419
where:
bonds (distance) C4'-P energy: -67.858
bonds (distance) P-C4' energy: -64.517
flat angles C4'-P-C4' energy: -61.282
flat angles P-C4'-P energy: -32.347
tors. eta vs tors. theta energy: -68.161
Dist. restrs. and SS energy: 2.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1000.290887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.290887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.490155 (E_RNA)
where:
Base-Base interactions energy: -714.493
where: short stacking energy: -269.978
Base-Backbone interact. energy: -2.270
local terms energy: -284.726845
where:
bonds (distance) C4'-P energy: -51.996
bonds (distance) P-C4' energy: -50.573
flat angles C4'-P-C4' energy: -73.201
flat angles P-C4'-P energy: -42.094
tors. eta vs tors. theta energy: -66.863
Dist. restrs. and SS energy: 1.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -936.032447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.032447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.535678 (E_RNA)
where:
Base-Base interactions energy: -644.504
where: short stacking energy: -251.817
Base-Backbone interact. energy: -2.365
local terms energy: -290.667252
where:
bonds (distance) C4'-P energy: -64.108
bonds (distance) P-C4' energy: -59.561
flat angles C4'-P-C4' energy: -59.983
flat angles P-C4'-P energy: -38.489
tors. eta vs tors. theta energy: -68.525
Dist. restrs. and SS energy: 1.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -926.382053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.382053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.357698 (E_RNA)
where:
Base-Base interactions energy: -642.609
where: short stacking energy: -264.674
Base-Backbone interact. energy: 0.066
local terms energy: -285.814689
where:
bonds (distance) C4'-P energy: -54.101
bonds (distance) P-C4' energy: -68.192
flat angles C4'-P-C4' energy: -59.620
flat angles P-C4'-P energy: -34.487
tors. eta vs tors. theta energy: -69.416
Dist. restrs. and SS energy: 1.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1263.242578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.242578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.397659 (E_RNA)
where:
Base-Base interactions energy: -884.345
where: short stacking energy: -370.678
Base-Backbone interact. energy: 0.360
local terms energy: -386.412650
where:
bonds (distance) C4'-P energy: -69.910
bonds (distance) P-C4' energy: -74.367
flat angles C4'-P-C4' energy: -73.519
flat angles P-C4'-P energy: -57.300
tors. eta vs tors. theta energy: -111.317
Dist. restrs. and SS energy: 7.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1185.494890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.494890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.189872 (E_RNA)
where:
Base-Base interactions energy: -820.446
where: short stacking energy: -345.634
Base-Backbone interact. energy: -0.373
local terms energy: -368.370720
where:
bonds (distance) C4'-P energy: -56.617
bonds (distance) P-C4' energy: -74.039
flat angles C4'-P-C4' energy: -80.088
flat angles P-C4'-P energy: -56.169
tors. eta vs tors. theta energy: -101.459
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: 3, replica: 10
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1176.465009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.465009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.083627 (E_RNA)
where:
Base-Base interactions energy: -814.562
where: short stacking energy: -340.298
Base-Backbone interact. energy: -0.779
local terms energy: -363.742606
where:
bonds (distance) C4'-P energy: -61.914
bonds (distance) P-C4' energy: -80.351
flat angles C4'-P-C4' energy: -74.815
flat angles P-C4'-P energy: -56.280
tors. eta vs tors. theta energy: -90.382
Dist. restrs. and SS energy: 2.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1106.728764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.728764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.650200 (E_RNA)
where:
Base-Base interactions energy: -800.554
where: short stacking energy: -319.094
Base-Backbone interact. energy: -1.124
local terms energy: -314.971910
where:
bonds (distance) C4'-P energy: -61.770
bonds (distance) P-C4' energy: -50.703
flat angles C4'-P-C4' energy: -72.617
flat angles P-C4'-P energy: -42.684
tors. eta vs tors. theta energy: -87.199
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: 5, replica: 8
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1090.029606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.029606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.149306 (E_RNA)
where:
Base-Base interactions energy: -788.623
where: short stacking energy: -317.919
Base-Backbone interact. energy: 0.302
local terms energy: -305.828297
where:
bonds (distance) C4'-P energy: -60.009
bonds (distance) P-C4' energy: -57.978
flat angles C4'-P-C4' energy: -67.009
flat angles P-C4'-P energy: -41.616
tors. eta vs tors. theta energy: -79.216
Dist. restrs. and SS energy: 4.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1086.053009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.053009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.391547 (E_RNA)
where:
Base-Base interactions energy: -737.138
where: short stacking energy: -298.320
Base-Backbone interact. energy: -1.749
local terms energy: -350.504171
where:
bonds (distance) C4'-P energy: -65.285
bonds (distance) P-C4' energy: -69.631
flat angles C4'-P-C4' energy: -84.004
flat angles P-C4'-P energy: -46.582
tors. eta vs tors. theta energy: -85.002
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: 7, replica: 1
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -975.714962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.714962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.753233 (E_RNA)
where:
Base-Base interactions energy: -681.475
where: short stacking energy: -271.617
Base-Backbone interact. energy: -1.846
local terms energy: -293.431724
where:
bonds (distance) C4'-P energy: -61.873
bonds (distance) P-C4' energy: -51.484
flat angles C4'-P-C4' energy: -61.000
flat angles P-C4'-P energy: -47.532
tors. eta vs tors. theta energy: -71.543
Dist. restrs. and SS energy: 1.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -976.711434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.711434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.325432 (E_RNA)
where:
Base-Base interactions energy: -709.579
where: short stacking energy: -274.633
Base-Backbone interact. energy: -0.319
local terms energy: -268.427246
where:
bonds (distance) C4'-P energy: -44.894
bonds (distance) P-C4' energy: -47.831
flat angles C4'-P-C4' energy: -61.843
flat angles P-C4'-P energy: -39.898
tors. eta vs tors. theta energy: -73.961
Dist. restrs. and SS energy: 1.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -939.475186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.475186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.771867 (E_RNA)
where:
Base-Base interactions energy: -660.770
where: short stacking energy: -251.297
Base-Backbone interact. energy: 0.258
local terms energy: -280.259985
where:
bonds (distance) C4'-P energy: -53.555
bonds (distance) P-C4' energy: -63.456
flat angles C4'-P-C4' energy: -61.695
flat angles P-C4'-P energy: -33.103
tors. eta vs tors. theta energy: -68.451
Dist. restrs. and SS energy: 1.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -933.834141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.834141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.594306 (E_RNA)
where:
Base-Base interactions energy: -652.772
where: short stacking energy: -254.727
Base-Backbone interact. energy: -0.898
local terms energy: -280.924871
where:
bonds (distance) C4'-P energy: -53.023
bonds (distance) P-C4' energy: -65.236
flat angles C4'-P-C4' energy: -62.522
flat angles P-C4'-P energy: -36.045
tors. eta vs tors. theta energy: -64.099
Dist. restrs. and SS energy: 0.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1246.392159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.392159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.894649 (E_RNA)
where:
Base-Base interactions energy: -867.890
where: short stacking energy: -348.605
Base-Backbone interact. energy: 0.142
local terms energy: -385.145921
where:
bonds (distance) C4'-P energy: -75.540
bonds (distance) P-C4' energy: -80.051
flat angles C4'-P-C4' energy: -75.718
flat angles P-C4'-P energy: -56.601
tors. eta vs tors. theta energy: -97.236
Dist. restrs. and SS energy: 6.502 (S_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: 156
Temperature: 0.950000
Total energy: -1200.730788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.730788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.795695 (E_RNA)
where:
Base-Base interactions energy: -824.820
where: short stacking energy: -343.597
Base-Backbone interact. energy: -1.602
local terms energy: -378.373450
where:
bonds (distance) C4'-P energy: -70.146
bonds (distance) P-C4' energy: -71.184
flat angles C4'-P-C4' energy: -80.284
flat angles P-C4'-P energy: -57.723
tors. eta vs tors. theta energy: -99.036
Dist. restrs. and SS energy: 4.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1147.809880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.809880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.900124 (E_RNA)
where:
Base-Base interactions energy: -800.976
where: short stacking energy: -342.503
Base-Backbone interact. energy: -5.188
local terms energy: -345.735640
where:
bonds (distance) C4'-P energy: -44.495
bonds (distance) P-C4' energy: -71.988
flat angles C4'-P-C4' energy: -79.235
flat angles P-C4'-P energy: -56.127
tors. eta vs tors. theta energy: -93.891
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: 4, replica: 3
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1076.129864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.129864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.243029 (E_RNA)
where:
Base-Base interactions energy: -754.234
where: short stacking energy: -311.198
Base-Backbone interact. energy: 0.541
local terms energy: -328.550514
where:
bonds (distance) C4'-P energy: -57.410
bonds (distance) P-C4' energy: -68.565
flat angles C4'-P-C4' energy: -65.830
flat angles P-C4'-P energy: -59.762
tors. eta vs tors. theta energy: -76.984
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: 5, replica: 8
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1068.775051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.775051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.188531 (E_RNA)
where:
Base-Base interactions energy: -732.912
where: short stacking energy: -292.587
Base-Backbone interact. energy: -0.421
local terms energy: -339.855069
where:
bonds (distance) C4'-P energy: -65.507
bonds (distance) P-C4' energy: -67.455
flat angles C4'-P-C4' energy: -74.941
flat angles P-C4'-P energy: -44.237
tors. eta vs tors. theta energy: -87.715
Dist. restrs. and SS energy: 4.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1056.030293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.030293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.339391 (E_RNA)
where:
Base-Base interactions energy: -723.975
where: short stacking energy: -291.294
Base-Backbone interact. energy: -3.556
local terms energy: -333.809205
where:
bonds (distance) C4'-P energy: -69.685
bonds (distance) P-C4' energy: -66.032
flat angles C4'-P-C4' energy: -64.839
flat angles P-C4'-P energy: -50.592
tors. eta vs tors. theta energy: -82.660
Dist. restrs. and SS energy: 5.309 (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: 1
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -966.194699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.194699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.490317 (E_RNA)
where:
Base-Base interactions energy: -671.182
where: short stacking energy: -297.220
Base-Backbone interact. energy: 1.069
local terms energy: -302.377751
where:
bonds (distance) C4'-P energy: -44.856
bonds (distance) P-C4' energy: -69.601
flat angles C4'-P-C4' energy: -65.164
flat angles P-C4'-P energy: -51.671
tors. eta vs tors. theta energy: -71.085
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: 8, replica: 2
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -976.135192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.135192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.767033 (E_RNA)
where:
Base-Base interactions energy: -695.573
where: short stacking energy: -279.992
Base-Backbone interact. energy: 1.503
local terms energy: -286.696610
where:
bonds (distance) C4'-P energy: -46.924
bonds (distance) P-C4' energy: -70.138
flat angles C4'-P-C4' energy: -67.675
flat angles P-C4'-P energy: -30.663
tors. eta vs tors. theta energy: -71.297
Dist. restrs. and SS energy: 4.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -918.428340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.428340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.160467 (E_RNA)
where:
Base-Base interactions energy: -639.363
where: short stacking energy: -249.185
Base-Backbone interact. energy: 1.302
local terms energy: -284.099890
where:
bonds (distance) C4'-P energy: -37.654
bonds (distance) P-C4' energy: -59.038
flat angles C4'-P-C4' energy: -70.929
flat angles P-C4'-P energy: -43.199
tors. eta vs tors. theta energy: -73.280
Dist. restrs. and SS energy: 3.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -901.467208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.467208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.659029 (E_RNA)
where:
Base-Base interactions energy: -626.071
where: short stacking energy: -240.323
Base-Backbone interact. energy: -1.678
local terms energy: -278.909400
where:
bonds (distance) C4'-P energy: -65.428
bonds (distance) P-C4' energy: -54.475
flat angles C4'-P-C4' energy: -64.176
flat angles P-C4'-P energy: -32.507
tors. eta vs tors. theta energy: -62.324
Dist. restrs. and SS energy: 5.192 (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: 9
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1238.580998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.580998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.197658 (E_RNA)
where:
Base-Base interactions energy: -867.164
where: short stacking energy: -356.751
Base-Backbone interact. energy: -0.076
local terms energy: -376.957681
where:
bonds (distance) C4'-P energy: -69.774
bonds (distance) P-C4' energy: -75.962
flat angles C4'-P-C4' energy: -78.494
flat angles P-C4'-P energy: -52.489
tors. eta vs tors. theta energy: -100.239
Dist. restrs. and SS energy: 5.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1184.857940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.857940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.961959 (E_RNA)
where:
Base-Base interactions energy: -823.457
where: short stacking energy: -349.355
Base-Backbone interact. energy: -3.440
local terms energy: -360.064778
where:
bonds (distance) C4'-P energy: -71.404
bonds (distance) P-C4' energy: -65.036
flat angles C4'-P-C4' energy: -70.467
flat angles P-C4'-P energy: -57.341
tors. eta vs tors. theta energy: -95.816
Dist. restrs. and SS energy: 2.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1163.200867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.200867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.169155 (E_RNA)
where:
Base-Base interactions energy: -819.661
where: short stacking energy: -334.838
Base-Backbone interact. energy: -1.389
local terms energy: -348.118743
where:
bonds (distance) C4'-P energy: -66.338
bonds (distance) P-C4' energy: -59.147
flat angles C4'-P-C4' energy: -77.541
flat angles P-C4'-P energy: -50.537
tors. eta vs tors. theta energy: -94.555
Dist. restrs. and SS energy: 5.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1069.766345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.766345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.602181 (E_RNA)
where:
Base-Base interactions energy: -766.786
where: short stacking energy: -307.877
Base-Backbone interact. energy: -0.283
local terms energy: -307.533721
where:
bonds (distance) C4'-P energy: -62.951
bonds (distance) P-C4' energy: -55.149
flat angles C4'-P-C4' energy: -71.095
flat angles P-C4'-P energy: -41.037
tors. eta vs tors. theta energy: -77.302
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: 5, replica: 8
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1057.788670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.788670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.028786 (E_RNA)
where:
Base-Base interactions energy: -724.235
where: short stacking energy: -274.795
Base-Backbone interact. energy: -3.988
local terms energy: -331.805817
where:
bonds (distance) C4'-P energy: -67.630
bonds (distance) P-C4' energy: -73.215
flat angles C4'-P-C4' energy: -72.662
flat angles P-C4'-P energy: -50.543
tors. eta vs tors. theta energy: -67.756
Dist. restrs. and SS energy: 2.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1015.098556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.098556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.543506 (E_RNA)
where:
Base-Base interactions energy: -719.500
where: short stacking energy: -290.445
Base-Backbone interact. energy: 8.671
local terms energy: -305.715206
where:
bonds (distance) C4'-P energy: -52.189
bonds (distance) P-C4' energy: -56.858
flat angles C4'-P-C4' energy: -61.647
flat angles P-C4'-P energy: -56.844
tors. eta vs tors. theta energy: -78.177
Dist. restrs. and SS energy: 1.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -975.277222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.277222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.413180 (E_RNA)
where:
Base-Base interactions energy: -684.297
where: short stacking energy: -266.884
Base-Backbone interact. energy: -0.494
local terms energy: -293.621427
where:
bonds (distance) C4'-P energy: -59.131
bonds (distance) P-C4' energy: -51.487
flat angles C4'-P-C4' energy: -61.827
flat angles P-C4'-P energy: -51.022
tors. eta vs tors. theta energy: -70.155
Dist. restrs. and SS energy: 3.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -979.109565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.109565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.035082 (E_RNA)
where:
Base-Base interactions energy: -710.373
where: short stacking energy: -289.664
Base-Backbone interact. energy: 1.556
local terms energy: -275.217610
where:
bonds (distance) C4'-P energy: -42.569
bonds (distance) P-C4' energy: -58.955
flat angles C4'-P-C4' energy: -60.612
flat angles P-C4'-P energy: -43.215
tors. eta vs tors. theta energy: -69.866
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: 9, replica: 5
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -931.523091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.523091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.568356 (E_RNA)
where:
Base-Base interactions energy: -646.978
where: short stacking energy: -256.531
Base-Backbone interact. energy: -2.982
local terms energy: -285.608638
where:
bonds (distance) C4'-P energy: -52.295
bonds (distance) P-C4' energy: -65.228
flat angles C4'-P-C4' energy: -55.258
flat angles P-C4'-P energy: -45.025
tors. eta vs tors. theta energy: -67.803
Dist. restrs. and SS energy: 4.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -887.699688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.699688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.245117 (E_RNA)
where:
Base-Base interactions energy: -643.630
where: short stacking energy: -257.844
Base-Backbone interact. energy: -1.489
local terms energy: -247.125840
where:
bonds (distance) C4'-P energy: -44.460
bonds (distance) P-C4' energy: -60.088
flat angles C4'-P-C4' energy: -52.278
flat angles P-C4'-P energy: -35.874
tors. eta vs tors. theta energy: -54.426
Dist. restrs. and SS energy: 4.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1244.909988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.909988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.340589 (E_RNA)
where:
Base-Base interactions energy: -859.947
where: short stacking energy: -356.169
Base-Backbone interact. energy: -3.252
local terms energy: -388.141424
where:
bonds (distance) C4'-P energy: -73.657
bonds (distance) P-C4' energy: -75.745
flat angles C4'-P-C4' energy: -76.010
flat angles P-C4'-P energy: -57.555
tors. eta vs tors. theta energy: -105.174
Dist. restrs. and SS energy: 6.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1204.445387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.445387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.228195 (E_RNA)
where:
Base-Base interactions energy: -838.809
where: short stacking energy: -353.619
Base-Backbone interact. energy: -1.790
local terms energy: -367.629007
where:
bonds (distance) C4'-P energy: -61.671
bonds (distance) P-C4' energy: -76.101
flat angles C4'-P-C4' energy: -75.253
flat angles P-C4'-P energy: -53.193
tors. eta vs tors. theta energy: -101.411
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: 3, replica: 6
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1162.286519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.286519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.213799 (E_RNA)
where:
Base-Base interactions energy: -807.564
where: short stacking energy: -327.997
Base-Backbone interact. energy: 1.404
local terms energy: -360.053420
where:
bonds (distance) C4'-P energy: -72.657
bonds (distance) P-C4' energy: -68.233
flat angles C4'-P-C4' energy: -69.641
flat angles P-C4'-P energy: -52.256
tors. eta vs tors. theta energy: -97.267
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: 4, replica: 3
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1114.418824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.418824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.367049 (E_RNA)
where:
Base-Base interactions energy: -791.513
where: short stacking energy: -319.868
Base-Backbone interact. energy: -1.301
local terms energy: -324.553588
where:
bonds (distance) C4'-P energy: -61.223
bonds (distance) P-C4' energy: -53.233
flat angles C4'-P-C4' energy: -68.323
flat angles P-C4'-P energy: -47.709
tors. eta vs tors. theta energy: -94.065
Dist. restrs. and SS energy: 2.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1106.543744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.543744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.393299 (E_RNA)
where:
Base-Base interactions energy: -789.455
where: short stacking energy: -320.646
Base-Backbone interact. energy: -2.277
local terms energy: -319.661530
where:
bonds (distance) C4'-P energy: -66.126
bonds (distance) P-C4' energy: -69.664
flat angles C4'-P-C4' energy: -65.908
flat angles P-C4'-P energy: -35.022
tors. eta vs tors. theta energy: -82.940
Dist. restrs. and SS energy: 4.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1071.200551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.200551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.345345 (E_RNA)
where:
Base-Base interactions energy: -753.178
where: short stacking energy: -303.672
Base-Backbone interact. energy: 0.690
local terms energy: -321.856584
where:
bonds (distance) C4'-P energy: -59.609
bonds (distance) P-C4' energy: -61.302
flat angles C4'-P-C4' energy: -80.512
flat angles P-C4'-P energy: -35.249
tors. eta vs tors. theta energy: -85.184
Dist. restrs. and SS energy: 3.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1016.069097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.069097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.116476 (E_RNA)
where:
Base-Base interactions energy: -735.116
where: short stacking energy: -285.450
Base-Backbone interact. energy: -1.836
local terms energy: -284.164363
where:
bonds (distance) C4'-P energy: -46.667
bonds (distance) P-C4' energy: -72.913
flat angles C4'-P-C4' energy: -60.545
flat angles P-C4'-P energy: -34.556
tors. eta vs tors. theta energy: -69.482
Dist. restrs. and SS energy: 5.047 (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: 1
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -953.551349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.551349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.847818 (E_RNA)
where:
Base-Base interactions energy: -649.890
where: short stacking energy: -255.560
Base-Backbone interact. energy: -0.128
local terms energy: -306.830112
where:
bonds (distance) C4'-P energy: -60.133
bonds (distance) P-C4' energy: -60.947
flat angles C4'-P-C4' energy: -72.136
flat angles P-C4'-P energy: -47.534
tors. eta vs tors. theta energy: -66.080
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: 9, replica: 4
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -921.321195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.321195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.339167 (E_RNA)
where:
Base-Base interactions energy: -638.074
where: short stacking energy: -253.835
Base-Backbone interact. energy: -0.513
local terms energy: -289.752106
where:
bonds (distance) C4'-P energy: -60.665
bonds (distance) P-C4' energy: -54.460
flat angles C4'-P-C4' energy: -69.808
flat angles P-C4'-P energy: -37.713
tors. eta vs tors. theta energy: -67.106
Dist. restrs. and SS energy: 7.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -892.701463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.701463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.061179 (E_RNA)
where:
Base-Base interactions energy: -637.779
where: short stacking energy: -247.214
Base-Backbone interact. energy: -0.013
local terms energy: -256.269698
where:
bonds (distance) C4'-P energy: -49.993
bonds (distance) P-C4' energy: -52.162
flat angles C4'-P-C4' energy: -63.193
flat angles P-C4'-P energy: -32.601
tors. eta vs tors. theta energy: -58.321
Dist. restrs. and SS energy: 1.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1251.600765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.600765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.576026 (E_RNA)
where:
Base-Base interactions energy: -869.285
where: short stacking energy: -356.981
Base-Backbone interact. energy: 1.203
local terms energy: -387.493696
where:
bonds (distance) C4'-P energy: -75.570
bonds (distance) P-C4' energy: -77.332
flat angles C4'-P-C4' energy: -71.894
flat angles P-C4'-P energy: -55.584
tors. eta vs tors. theta energy: -107.114
Dist. restrs. and SS energy: 3.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1201.197882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.197882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.815497 (E_RNA)
where:
Base-Base interactions energy: -838.978
where: short stacking energy: -351.418
Base-Backbone interact. energy: -0.397
local terms energy: -364.440563
where:
bonds (distance) C4'-P energy: -63.884
bonds (distance) P-C4' energy: -64.678
flat angles C4'-P-C4' energy: -71.565
flat angles P-C4'-P energy: -58.051
tors. eta vs tors. theta energy: -106.262
Dist. restrs. and SS energy: 2.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1159.928737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.928737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.883568 (E_RNA)
where:
Base-Base interactions energy: -801.026
where: short stacking energy: -331.414
Base-Backbone interact. energy: -0.195
local terms energy: -362.662884
where:
bonds (distance) C4'-P energy: -68.621
bonds (distance) P-C4' energy: -69.959
flat angles C4'-P-C4' energy: -79.304
flat angles P-C4'-P energy: -56.269
tors. eta vs tors. theta energy: -88.510
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: 4, replica: 3
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1115.949215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.949215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.886346 (E_RNA)
where:
Base-Base interactions energy: -781.983
where: short stacking energy: -329.619
Base-Backbone interact. energy: -2.139
local terms energy: -335.764298
where:
bonds (distance) C4'-P energy: -53.396
bonds (distance) P-C4' energy: -71.241
flat angles C4'-P-C4' energy: -74.555
flat angles P-C4'-P energy: -43.191
tors. eta vs tors. theta energy: -93.381
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: 5, replica: 8
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1083.128882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.128882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.373085 (E_RNA)
where:
Base-Base interactions energy: -774.546
where: short stacking energy: -320.572
Base-Backbone interact. energy: -1.489
local terms energy: -311.337604
where:
bonds (distance) C4'-P energy: -47.162
bonds (distance) P-C4' energy: -61.404
flat angles C4'-P-C4' energy: -65.099
flat angles P-C4'-P energy: -52.180
tors. eta vs tors. theta energy: -85.493
Dist. restrs. and SS energy: 4.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1057.269442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.269442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.439544 (E_RNA)
where:
Base-Base interactions energy: -752.277
where: short stacking energy: -301.200
Base-Backbone interact. energy: -1.800
local terms energy: -307.362222
where:
bonds (distance) C4'-P energy: -60.868
bonds (distance) P-C4' energy: -66.717
flat angles C4'-P-C4' energy: -62.188
flat angles P-C4'-P energy: -31.043
tors. eta vs tors. theta energy: -86.547
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: 7, replica: 2
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1019.847424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.847424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.793980 (E_RNA)
where:
Base-Base interactions energy: -717.796
where: short stacking energy: -296.675
Base-Backbone interact. energy: -1.330
local terms energy: -304.668067
where:
bonds (distance) C4'-P energy: -63.562
bonds (distance) P-C4' energy: -50.669
flat angles C4'-P-C4' energy: -66.902
flat angles P-C4'-P energy: -44.416
tors. eta vs tors. theta energy: -79.119
Dist. restrs. and SS energy: 3.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -973.623414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.623414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.403366 (E_RNA)
where:
Base-Base interactions energy: -703.523
where: short stacking energy: -295.311
Base-Backbone interact. energy: -0.684
local terms energy: -278.196652
where:
bonds (distance) C4'-P energy: -49.235
bonds (distance) P-C4' energy: -59.886
flat angles C4'-P-C4' energy: -58.459
flat angles P-C4'-P energy: -30.424
tors. eta vs tors. theta energy: -80.191
Dist. restrs. and SS energy: 8.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -915.669853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.669853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.368188 (E_RNA)
where:
Base-Base interactions energy: -662.580
where: short stacking energy: -265.102
Base-Backbone interact. energy: -2.619
local terms energy: -255.169174
where:
bonds (distance) C4'-P energy: -43.106
bonds (distance) P-C4' energy: -57.021
flat angles C4'-P-C4' energy: -55.410
flat angles P-C4'-P energy: -29.963
tors. eta vs tors. theta energy: -69.669
Dist. restrs. and SS energy: 4.698 (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: 5
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -873.289411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.289411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.426263 (E_RNA)
where:
Base-Base interactions energy: -611.634
where: short stacking energy: -234.045
Base-Backbone interact. energy: -0.519
local terms energy: -267.272907
where:
bonds (distance) C4'-P energy: -55.342
bonds (distance) P-C4' energy: -53.513
flat angles C4'-P-C4' energy: -52.455
flat angles P-C4'-P energy: -47.296
tors. eta vs tors. theta energy: -58.667
Dist. restrs. and SS energy: 6.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1252.006930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.006930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.351042 (E_RNA)
where:
Base-Base interactions energy: -895.000
where: short stacking energy: -368.860
Base-Backbone interact. energy: -2.760
local terms energy: -359.590440
where:
bonds (distance) C4'-P energy: -65.389
bonds (distance) P-C4' energy: -76.663
flat angles C4'-P-C4' energy: -70.050
flat angles P-C4'-P energy: -47.776
tors. eta vs tors. theta energy: -99.712
Dist. restrs. and SS energy: 5.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1189.896639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.896639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.995519 (E_RNA)
where:
Base-Base interactions energy: -827.687
where: short stacking energy: -353.833
Base-Backbone interact. energy: -0.021
local terms energy: -365.287233
where:
bonds (distance) C4'-P energy: -64.087
bonds (distance) P-C4' energy: -74.174
flat angles C4'-P-C4' energy: -76.974
flat angles P-C4'-P energy: -54.923
tors. eta vs tors. theta energy: -95.129
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: 3, replica: 3
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1125.767628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.767628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.422738 (E_RNA)
where:
Base-Base interactions energy: -788.843
where: short stacking energy: -331.435
Base-Backbone interact. energy: -0.312
local terms energy: -340.268062
where:
bonds (distance) C4'-P energy: -55.038
bonds (distance) P-C4' energy: -58.336
flat angles C4'-P-C4' energy: -77.817
flat angles P-C4'-P energy: -58.225
tors. eta vs tors. theta energy: -90.852
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: 4, replica: 6
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1102.913832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.913832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.827961 (E_RNA)
where:
Base-Base interactions energy: -749.523
where: short stacking energy: -306.237
Base-Backbone interact. energy: -2.288
local terms energy: -356.017136
where:
bonds (distance) C4'-P energy: -76.830
bonds (distance) P-C4' energy: -70.294
flat angles C4'-P-C4' energy: -71.012
flat angles P-C4'-P energy: -59.069
tors. eta vs tors. theta energy: -78.812
Dist. restrs. and SS energy: 4.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1057.055826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.055826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.320115 (E_RNA)
where:
Base-Base interactions energy: -731.643
where: short stacking energy: -299.032
Base-Backbone interact. energy: 0.962
local terms energy: -327.639483
where:
bonds (distance) C4'-P energy: -57.272
bonds (distance) P-C4' energy: -61.933
flat angles C4'-P-C4' energy: -68.046
flat angles P-C4'-P energy: -54.207
tors. eta vs tors. theta energy: -86.182
Dist. restrs. and SS energy: 1.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1062.055840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.055840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.612982 (E_RNA)
where:
Base-Base interactions energy: -733.719
where: short stacking energy: -302.436
Base-Backbone interact. energy: -0.336
local terms energy: -338.557827
where:
bonds (distance) C4'-P energy: -64.190
bonds (distance) P-C4' energy: -63.713
flat angles C4'-P-C4' energy: -70.595
flat angles P-C4'-P energy: -49.374
tors. eta vs tors. theta energy: -90.687
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: 7, replica: 2
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -979.070789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.070789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.171965 (E_RNA)
where:
Base-Base interactions energy: -679.964
where: short stacking energy: -269.166
Base-Backbone interact. energy: 3.590
local terms energy: -306.798583
where:
bonds (distance) C4'-P energy: -60.765
bonds (distance) P-C4' energy: -54.068
flat angles C4'-P-C4' energy: -77.994
flat angles P-C4'-P energy: -46.740
tors. eta vs tors. theta energy: -67.231
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: 1
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -921.672927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.672927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.313972 (E_RNA)
where:
Base-Base interactions energy: -651.867
where: short stacking energy: -246.564
Base-Backbone interact. energy: 0.785
local terms energy: -274.232199
where:
bonds (distance) C4'-P energy: -62.819
bonds (distance) P-C4' energy: -63.129
flat angles C4'-P-C4' energy: -55.733
flat angles P-C4'-P energy: -41.036
tors. eta vs tors. theta energy: -51.515
Dist. restrs. and SS energy: 3.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -901.391452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.391452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.023047 (E_RNA)
where:
Base-Base interactions energy: -640.005
where: short stacking energy: -257.408
Base-Backbone interact. energy: 3.358
local terms energy: -269.375993
where:
bonds (distance) C4'-P energy: -63.699
bonds (distance) P-C4' energy: -56.894
flat angles C4'-P-C4' energy: -56.414
flat angles P-C4'-P energy: -35.657
tors. eta vs tors. theta energy: -56.711
Dist. restrs. and SS energy: 4.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -891.536773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.536773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.415004 (E_RNA)
where:
Base-Base interactions energy: -618.975
where: short stacking energy: -253.565
Base-Backbone interact. energy: -2.246
local terms energy: -280.193305
where:
bonds (distance) C4'-P energy: -51.090
bonds (distance) P-C4' energy: -51.410
flat angles C4'-P-C4' energy: -57.690
flat angles P-C4'-P energy: -48.130
tors. eta vs tors. theta energy: -71.873
Dist. restrs. and SS energy: 9.878 (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: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1266.784568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.784568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.599638 (E_RNA)
where:
Base-Base interactions energy: -883.710
where: short stacking energy: -367.928
Base-Backbone interact. energy: -3.064
local terms energy: -385.825676
where:
bonds (distance) C4'-P energy: -68.844
bonds (distance) P-C4' energy: -66.590
flat angles C4'-P-C4' energy: -85.179
flat angles P-C4'-P energy: -62.708
tors. eta vs tors. theta energy: -102.506
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: 2, replica: 10
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1198.661536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.661536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.838722 (E_RNA)
where:
Base-Base interactions energy: -837.897
where: short stacking energy: -352.224
Base-Backbone interact. energy: 1.338
local terms energy: -365.279939
where:
bonds (distance) C4'-P energy: -66.370
bonds (distance) P-C4' energy: -72.569
flat angles C4'-P-C4' energy: -66.972
flat angles P-C4'-P energy: -54.163
tors. eta vs tors. theta energy: -105.207
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: 3, replica: 3
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1141.512364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.512364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.143293 (E_RNA)
where:
Base-Base interactions energy: -802.145
where: short stacking energy: -340.684
Base-Backbone interact. energy: 0.977
local terms energy: -344.975837
where:
bonds (distance) C4'-P energy: -62.451
bonds (distance) P-C4' energy: -67.697
flat angles C4'-P-C4' energy: -71.889
flat angles P-C4'-P energy: -50.422
tors. eta vs tors. theta energy: -92.517
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: 4, replica: 6
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1130.046213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.046213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.736605 (E_RNA)
where:
Base-Base interactions energy: -785.961
where: short stacking energy: -321.642
Base-Backbone interact. energy: -1.133
local terms energy: -346.642546
where:
bonds (distance) C4'-P energy: -59.569
bonds (distance) P-C4' energy: -61.811
flat angles C4'-P-C4' energy: -71.606
flat angles P-C4'-P energy: -55.507
tors. eta vs tors. theta energy: -98.149
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: 5, replica: 7
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1064.189944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.189944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.128363 (E_RNA)
where:
Base-Base interactions energy: -738.208
where: short stacking energy: -297.253
Base-Backbone interact. energy: -1.573
local terms energy: -328.346816
where:
bonds (distance) C4'-P energy: -66.050
bonds (distance) P-C4' energy: -60.370
flat angles C4'-P-C4' energy: -70.350
flat angles P-C4'-P energy: -42.890
tors. eta vs tors. theta energy: -88.687
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: 6, replica: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1073.943451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.943451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.027013 (E_RNA)
where:
Base-Base interactions energy: -752.638
where: short stacking energy: -297.454
Base-Backbone interact. energy: -1.726
local terms energy: -324.663292
where:
bonds (distance) C4'-P energy: -65.352
bonds (distance) P-C4' energy: -56.961
flat angles C4'-P-C4' energy: -70.962
flat angles P-C4'-P energy: -46.288
tors. eta vs tors. theta energy: -85.101
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: 7, replica: 2
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1023.648821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.648821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.556207 (E_RNA)
where:
Base-Base interactions energy: -720.892
where: short stacking energy: -270.104
Base-Backbone interact. energy: -0.059
local terms energy: -308.604740
where:
bonds (distance) C4'-P energy: -53.237
bonds (distance) P-C4' energy: -55.267
flat angles C4'-P-C4' energy: -64.296
flat angles P-C4'-P energy: -59.244
tors. eta vs tors. theta energy: -76.560
Dist. restrs. and SS energy: 5.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -916.530048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.530048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.258906 (E_RNA)
where:
Base-Base interactions energy: -623.839
where: short stacking energy: -241.755
Base-Backbone interact. energy: -0.572
local terms energy: -299.847828
where:
bonds (distance) C4'-P energy: -61.567
bonds (distance) P-C4' energy: -73.568
flat angles C4'-P-C4' energy: -59.299
flat angles P-C4'-P energy: -51.436
tors. eta vs tors. theta energy: -53.978
Dist. restrs. and SS energy: 7.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -909.095297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.095297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.819616 (E_RNA)
where:
Base-Base interactions energy: -645.715
where: short stacking energy: -256.508
Base-Backbone interact. energy: -2.947
local terms energy: -263.157036
where:
bonds (distance) C4'-P energy: -50.044
bonds (distance) P-C4' energy: -52.203
flat angles C4'-P-C4' energy: -64.091
flat angles P-C4'-P energy: -35.695
tors. eta vs tors. theta energy: -61.124
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: 10, replica: 4
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -920.527092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.527092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.030086 (E_RNA)
where:
Base-Base interactions energy: -634.524
where: short stacking energy: -251.830
Base-Backbone interact. energy: -1.148
local terms energy: -286.358537
where:
bonds (distance) C4'-P energy: -58.237
bonds (distance) P-C4' energy: -66.913
flat angles C4'-P-C4' energy: -58.997
flat angles P-C4'-P energy: -36.613
tors. eta vs tors. theta energy: -65.598
Dist. restrs. and SS energy: 1.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1267.059101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.059101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.796072 (E_RNA)
where:
Base-Base interactions energy: -891.940
where: short stacking energy: -379.110
Base-Backbone interact. energy: 1.784
local terms energy: -380.640160
where:
bonds (distance) C4'-P energy: -66.988
bonds (distance) P-C4' energy: -72.429
flat angles C4'-P-C4' energy: -83.686
flat angles P-C4'-P energy: -51.320
tors. eta vs tors. theta energy: -106.218
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: 2, replica: 10
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1185.405501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.405501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.188169 (E_RNA)
where:
Base-Base interactions energy: -822.855
where: short stacking energy: -354.249
Base-Backbone interact. energy: -1.712
local terms energy: -364.621487
where:
bonds (distance) C4'-P energy: -58.179
bonds (distance) P-C4' energy: -78.916
flat angles C4'-P-C4' energy: -76.007
flat angles P-C4'-P energy: -55.366
tors. eta vs tors. theta energy: -96.155
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: 3, replica: 3
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1146.732904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.732904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.582463 (E_RNA)
where:
Base-Base interactions energy: -796.607
where: short stacking energy: -331.683
Base-Backbone interact. energy: -0.960
local terms energy: -355.015552
where:
bonds (distance) C4'-P energy: -73.142
bonds (distance) P-C4' energy: -70.471
flat angles C4'-P-C4' energy: -66.979
flat angles P-C4'-P energy: -58.036
tors. eta vs tors. theta energy: -86.387
Dist. restrs. and SS energy: 5.850 (S_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: 162
Temperature: 1.050000
Total energy: -1102.031529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.031529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.874494 (E_RNA)
where:
Base-Base interactions energy: -760.949
where: short stacking energy: -316.649
Base-Backbone interact. energy: -0.945
local terms energy: -343.980535
where:
bonds (distance) C4'-P energy: -68.848
bonds (distance) P-C4' energy: -64.725
flat angles C4'-P-C4' energy: -73.777
flat angles P-C4'-P energy: -46.284
tors. eta vs tors. theta energy: -90.347
Dist. restrs. and SS energy: 3.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1091.428937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.428937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.995342 (E_RNA)
where:
Base-Base interactions energy: -775.205
where: short stacking energy: -306.778
Base-Backbone interact. energy: -2.583
local terms energy: -317.207002
where:
bonds (distance) C4'-P energy: -51.848
bonds (distance) P-C4' energy: -68.811
flat angles C4'-P-C4' energy: -69.869
flat angles P-C4'-P energy: -45.795
tors. eta vs tors. theta energy: -80.883
Dist. restrs. and SS energy: 3.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1045.858479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.858479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.729820 (E_RNA)
where:
Base-Base interactions energy: -725.176
where: short stacking energy: -314.309
Base-Backbone interact. energy: 0.052
local terms energy: -325.605511
where:
bonds (distance) C4'-P energy: -59.570
bonds (distance) P-C4' energy: -64.248
flat angles C4'-P-C4' energy: -72.633
flat angles P-C4'-P energy: -44.569
tors. eta vs tors. theta energy: -84.584
Dist. restrs. and SS energy: 4.871 (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: 2
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1049.690634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.690634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.244782 (E_RNA)
where:
Base-Base interactions energy: -747.685
where: short stacking energy: -303.900
Base-Backbone interact. energy: -0.594
local terms energy: -305.965984
where:
bonds (distance) C4'-P energy: -52.331
bonds (distance) P-C4' energy: -53.331
flat angles C4'-P-C4' energy: -76.674
flat angles P-C4'-P energy: -43.530
tors. eta vs tors. theta energy: -80.100
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: 8, replica: 1
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -940.618502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.618502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.453664 (E_RNA)
where:
Base-Base interactions energy: -660.670
where: short stacking energy: -270.771
Base-Backbone interact. energy: -1.259
local terms energy: -293.524397
where:
bonds (distance) C4'-P energy: -51.849
bonds (distance) P-C4' energy: -66.971
flat angles C4'-P-C4' energy: -55.944
flat angles P-C4'-P energy: -37.569
tors. eta vs tors. theta energy: -81.191
Dist. restrs. and SS energy: 14.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -935.515749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.515749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.523063 (E_RNA)
where:
Base-Base interactions energy: -646.867
where: short stacking energy: -259.084
Base-Backbone interact. energy: -0.193
local terms energy: -296.462165
where:
bonds (distance) C4'-P energy: -52.337
bonds (distance) P-C4' energy: -55.673
flat angles C4'-P-C4' energy: -70.774
flat angles P-C4'-P energy: -44.656
tors. eta vs tors. theta energy: -73.023
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: 10, replica: 5
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -885.229851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.229851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.074520 (E_RNA)
where:
Base-Base interactions energy: -636.920
where: short stacking energy: -232.013
Base-Backbone interact. energy: -0.728
local terms energy: -255.426596
where:
bonds (distance) C4'-P energy: -58.775
bonds (distance) P-C4' energy: -43.897
flat angles C4'-P-C4' energy: -53.195
flat angles P-C4'-P energy: -43.245
tors. eta vs tors. theta energy: -56.314
Dist. restrs. and SS energy: 7.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1258.422051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.422051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.680054 (E_RNA)
where:
Base-Base interactions energy: -881.151
where: short stacking energy: -345.670
Base-Backbone interact. energy: -0.093
local terms energy: -382.435813
where:
bonds (distance) C4'-P energy: -62.393
bonds (distance) P-C4' energy: -71.658
flat angles C4'-P-C4' energy: -81.771
flat angles P-C4'-P energy: -60.946
tors. eta vs tors. theta energy: -105.668
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: 2, replica: 10
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1181.627219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.627219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.512179 (E_RNA)
where:
Base-Base interactions energy: -823.146
where: short stacking energy: -336.780
Base-Backbone interact. energy: -2.842
local terms energy: -359.524237
where:
bonds (distance) C4'-P energy: -68.797
bonds (distance) P-C4' energy: -65.334
flat angles C4'-P-C4' energy: -78.697
flat angles P-C4'-P energy: -53.667
tors. eta vs tors. theta energy: -93.030
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: 163
Temperature: 1.000000
Total energy: -1117.016454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.016454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.834029 (E_RNA)
where:
Base-Base interactions energy: -782.158
where: short stacking energy: -319.924
Base-Backbone interact. energy: -0.690
local terms energy: -337.986801
where:
bonds (distance) C4'-P energy: -70.930
bonds (distance) P-C4' energy: -55.854
flat angles C4'-P-C4' energy: -68.016
flat angles P-C4'-P energy: -50.466
tors. eta vs tors. theta energy: -92.721
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: 4, replica: 8
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1104.595132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.595132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.367230 (E_RNA)
where:
Base-Base interactions energy: -765.449
where: short stacking energy: -303.009
Base-Backbone interact. energy: -0.825
local terms energy: -342.093735
where:
bonds (distance) C4'-P energy: -74.471
bonds (distance) P-C4' energy: -59.719
flat angles C4'-P-C4' energy: -72.005
flat angles P-C4'-P energy: -48.337
tors. eta vs tors. theta energy: -87.562
Dist. restrs. and SS energy: 3.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1102.988036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.988036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.596957 (E_RNA)
where:
Base-Base interactions energy: -751.072
where: short stacking energy: -310.777
Base-Backbone interact. energy: -2.005
local terms energy: -354.519689
where:
bonds (distance) C4'-P energy: -71.184
bonds (distance) P-C4' energy: -71.653
flat angles C4'-P-C4' energy: -73.916
flat angles P-C4'-P energy: -52.551
tors. eta vs tors. theta energy: -85.216
Dist. restrs. and SS energy: 4.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1023.603580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.603580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.565736 (E_RNA)
where:
Base-Base interactions energy: -722.245
where: short stacking energy: -286.855
Base-Backbone interact. energy: -1.002
local terms energy: -302.318709
where:
bonds (distance) C4'-P energy: -55.940
bonds (distance) P-C4' energy: -60.165
flat angles C4'-P-C4' energy: -70.036
flat angles P-C4'-P energy: -37.348
tors. eta vs tors. theta energy: -78.831
Dist. restrs. and SS energy: 1.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1035.267982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.267982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.804579 (E_RNA)
where:
Base-Base interactions energy: -722.504
where: short stacking energy: -301.318
Base-Backbone interact. energy: -1.754
local terms energy: -311.546476
where:
bonds (distance) C4'-P energy: -68.751
bonds (distance) P-C4' energy: -65.380
flat angles C4'-P-C4' energy: -57.342
flat angles P-C4'-P energy: -35.626
tors. eta vs tors. theta energy: -84.447
Dist. restrs. and SS energy: 0.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -963.599545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.599545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.177698 (E_RNA)
where:
Base-Base interactions energy: -679.778
where: short stacking energy: -280.420
Base-Backbone interact. energy: 0.934
local terms energy: -290.333956
where:
bonds (distance) C4'-P energy: -51.734
bonds (distance) P-C4' energy: -54.220
flat angles C4'-P-C4' energy: -61.368
flat angles P-C4'-P energy: -44.935
tors. eta vs tors. theta energy: -78.077
Dist. restrs. and SS energy: 5.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -929.166155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.166155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.917379 (E_RNA)
where:
Base-Base interactions energy: -670.157
where: short stacking energy: -272.239
Base-Backbone interact. energy: 6.072
local terms energy: -269.832672
where:
bonds (distance) C4'-P energy: -52.351
bonds (distance) P-C4' energy: -58.722
flat angles C4'-P-C4' energy: -62.968
flat angles P-C4'-P energy: -29.054
tors. eta vs tors. theta energy: -66.738
Dist. restrs. and SS energy: 4.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -887.496353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.496353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.694601 (E_RNA)
where:
Base-Base interactions energy: -652.474
where: short stacking energy: -269.460
Base-Backbone interact. energy: 3.685
local terms energy: -243.906173
where:
bonds (distance) C4'-P energy: -46.813
bonds (distance) P-C4' energy: -50.689
flat angles C4'-P-C4' energy: -45.538
flat angles P-C4'-P energy: -37.608
tors. eta vs tors. theta energy: -63.259
Dist. restrs. and SS energy: 5.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1260.446507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.446507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.661788 (E_RNA)
where:
Base-Base interactions energy: -877.065
where: short stacking energy: -353.839
Base-Backbone interact. energy: 2.444
local terms energy: -393.040354
where:
bonds (distance) C4'-P energy: -73.574
bonds (distance) P-C4' energy: -78.795
flat angles C4'-P-C4' energy: -79.516
flat angles P-C4'-P energy: -61.279
tors. eta vs tors. theta energy: -99.876
Dist. restrs. and SS energy: 7.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1194.504540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.504540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.003019 (E_RNA)
where:
Base-Base interactions energy: -832.731
where: short stacking energy: -344.275
Base-Backbone interact. energy: -3.665
local terms energy: -360.607382
where:
bonds (distance) C4'-P energy: -73.045
bonds (distance) P-C4' energy: -68.294
flat angles C4'-P-C4' energy: -71.190
flat angles P-C4'-P energy: -56.557
tors. eta vs tors. theta energy: -91.521
Dist. restrs. and SS energy: 2.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1156.245341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.245341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.305558 (E_RNA)
where:
Base-Base interactions energy: -789.379
where: short stacking energy: -324.985
Base-Backbone interact. energy: -3.023
local terms energy: -365.903132
where:
bonds (distance) C4'-P energy: -63.573
bonds (distance) P-C4' energy: -67.258
flat angles C4'-P-C4' energy: -80.409
flat angles P-C4'-P energy: -51.712
tors. eta vs tors. theta energy: -102.952
Dist. restrs. and SS energy: 2.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1110.626945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.626945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.268654 (E_RNA)
where:
Base-Base interactions energy: -777.851
where: short stacking energy: -302.602
Base-Backbone interact. energy: -2.461
local terms energy: -333.956900
where:
bonds (distance) C4'-P energy: -64.625
bonds (distance) P-C4' energy: -56.824
flat angles C4'-P-C4' energy: -75.231
flat angles P-C4'-P energy: -53.076
tors. eta vs tors. theta energy: -84.201
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: 5, replica: 6
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1118.628661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.628661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.209893 (E_RNA)
where:
Base-Base interactions energy: -784.247
where: short stacking energy: -305.938
Base-Backbone interact. energy: 2.910
local terms energy: -340.873139
where:
bonds (distance) C4'-P energy: -59.147
bonds (distance) P-C4' energy: -74.615
flat angles C4'-P-C4' energy: -72.256
flat angles P-C4'-P energy: -51.041
tors. eta vs tors. theta energy: -83.814
Dist. restrs. and SS energy: 3.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1053.748767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.748767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.353113 (E_RNA)
where:
Base-Base interactions energy: -740.423
where: short stacking energy: -288.748
Base-Backbone interact. energy: -1.279
local terms energy: -315.650403
where:
bonds (distance) C4'-P energy: -59.021
bonds (distance) P-C4' energy: -63.700
flat angles C4'-P-C4' energy: -68.271
flat angles P-C4'-P energy: -44.421
tors. eta vs tors. theta energy: -80.238
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: 2
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -991.869231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.869231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.597236 (E_RNA)
where:
Base-Base interactions energy: -697.630
where: short stacking energy: -263.541
Base-Backbone interact. energy: -0.360
local terms energy: -297.607619
where:
bonds (distance) C4'-P energy: -54.739
bonds (distance) P-C4' energy: -48.695
flat angles C4'-P-C4' energy: -69.058
flat angles P-C4'-P energy: -50.868
tors. eta vs tors. theta energy: -74.248
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: 8, replica: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -967.364199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.364199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.336590 (E_RNA)
where:
Base-Base interactions energy: -660.874
where: short stacking energy: -258.684
Base-Backbone interact. energy: -0.016
local terms energy: -307.447212
where:
bonds (distance) C4'-P energy: -65.911
bonds (distance) P-C4' energy: -58.365
flat angles C4'-P-C4' energy: -66.368
flat angles P-C4'-P energy: -51.674
tors. eta vs tors. theta energy: -65.128
Dist. restrs. and SS energy: 0.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -918.036843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.036843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.265187 (E_RNA)
where:
Base-Base interactions energy: -643.691
where: short stacking energy: -242.645
Base-Backbone interact. energy: -0.822
local terms energy: -277.752152
where:
bonds (distance) C4'-P energy: -57.927
bonds (distance) P-C4' energy: -51.068
flat angles C4'-P-C4' energy: -60.341
flat angles P-C4'-P energy: -45.432
tors. eta vs tors. theta energy: -62.984
Dist. restrs. and SS energy: 4.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -898.779318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.779318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.302556 (E_RNA)
where:
Base-Base interactions energy: -636.416
where: short stacking energy: -248.012
Base-Backbone interact. energy: -0.282
local terms energy: -267.604736
where:
bonds (distance) C4'-P energy: -49.709
bonds (distance) P-C4' energy: -47.097
flat angles C4'-P-C4' energy: -58.768
flat angles P-C4'-P energy: -46.340
tors. eta vs tors. theta energy: -65.691
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: 1, replica: 9
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1261.594792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.594792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.582527 (E_RNA)
where:
Base-Base interactions energy: -877.310
where: short stacking energy: -379.303
Base-Backbone interact. energy: -0.638
local terms energy: -387.635187
where:
bonds (distance) C4'-P energy: -60.314
bonds (distance) P-C4' energy: -71.002
flat angles C4'-P-C4' energy: -83.018
flat angles P-C4'-P energy: -60.497
tors. eta vs tors. theta energy: -112.805
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: 10
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1189.695735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.695735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.369453 (E_RNA)
where:
Base-Base interactions energy: -834.457
where: short stacking energy: -325.544
Base-Backbone interact. energy: -3.569
local terms energy: -355.343999
where:
bonds (distance) C4'-P energy: -73.305
bonds (distance) P-C4' energy: -66.940
flat angles C4'-P-C4' energy: -70.028
flat angles P-C4'-P energy: -54.880
tors. eta vs tors. theta energy: -90.192
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: 3, replica: 8
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1164.482151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.482151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.854379 (E_RNA)
where:
Base-Base interactions energy: -810.340
where: short stacking energy: -340.367
Base-Backbone interact. energy: -0.616
local terms energy: -356.898455
where:
bonds (distance) C4'-P energy: -65.479
bonds (distance) P-C4' energy: -60.994
flat angles C4'-P-C4' energy: -75.018
flat angles P-C4'-P energy: -48.532
tors. eta vs tors. theta energy: -106.876
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: 6
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1159.808127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.808127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.653477 (E_RNA)
where:
Base-Base interactions energy: -807.949
where: short stacking energy: -344.817
Base-Backbone interact. energy: 3.439
local terms energy: -360.143849
where:
bonds (distance) C4'-P energy: -66.224
bonds (distance) P-C4' energy: -74.554
flat angles C4'-P-C4' energy: -69.270
flat angles P-C4'-P energy: -50.223
tors. eta vs tors. theta energy: -99.873
Dist. restrs. and SS energy: 4.845 (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: 3
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1081.638150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.638150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.583190 (E_RNA)
where:
Base-Base interactions energy: -751.446
where: short stacking energy: -305.706
Base-Backbone interact. energy: -1.877
local terms energy: -332.260583
where:
bonds (distance) C4'-P energy: -63.248
bonds (distance) P-C4' energy: -63.918
flat angles C4'-P-C4' energy: -70.364
flat angles P-C4'-P energy: -50.922
tors. eta vs tors. theta energy: -83.809
Dist. restrs. and SS energy: 3.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1029.950071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.950071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.980374 (E_RNA)
where:
Base-Base interactions energy: -707.421
where: short stacking energy: -307.888
Base-Backbone interact. energy: -0.589
local terms energy: -324.970651
where:
bonds (distance) C4'-P energy: -58.161
bonds (distance) P-C4' energy: -64.874
flat angles C4'-P-C4' energy: -67.982
flat angles P-C4'-P energy: -51.345
tors. eta vs tors. theta energy: -82.609
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: 7, replica: 2
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1021.663509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.663509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.811217 (E_RNA)
where:
Base-Base interactions energy: -711.523
where: short stacking energy: -299.633
Base-Backbone interact. energy: 1.160
local terms energy: -315.448407
where:
bonds (distance) C4'-P energy: -55.401
bonds (distance) P-C4' energy: -60.971
flat angles C4'-P-C4' energy: -63.273
flat angles P-C4'-P energy: -51.253
tors. eta vs tors. theta energy: -84.550
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: 8, replica: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -932.983762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.983762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.303657 (E_RNA)
where:
Base-Base interactions energy: -646.223
where: short stacking energy: -261.332
Base-Backbone interact. energy: -1.269
local terms energy: -288.811780
where:
bonds (distance) C4'-P energy: -58.323
bonds (distance) P-C4' energy: -71.538
flat angles C4'-P-C4' energy: -60.953
flat angles P-C4'-P energy: -47.414
tors. eta vs tors. theta energy: -50.584
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: 9, replica: 5
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -934.946586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.946586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.105423 (E_RNA)
where:
Base-Base interactions energy: -642.833
where: short stacking energy: -255.992
Base-Backbone interact. energy: -1.287
local terms energy: -297.985505
where:
bonds (distance) C4'-P energy: -62.157
bonds (distance) P-C4' energy: -50.049
flat angles C4'-P-C4' energy: -65.981
flat angles P-C4'-P energy: -48.089
tors. eta vs tors. theta energy: -71.709
Dist. restrs. and SS energy: 7.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -900.496052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.496052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.960332 (E_RNA)
where:
Base-Base interactions energy: -637.714
where: short stacking energy: -251.699
Base-Backbone interact. energy: 0.741
local terms energy: -267.988008
where:
bonds (distance) C4'-P energy: -61.028
bonds (distance) P-C4' energy: -45.616
flat angles C4'-P-C4' energy: -56.389
flat angles P-C4'-P energy: -38.083
tors. eta vs tors. theta energy: -66.872
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: 1, replica: 9
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1265.746317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.746317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.235713 (E_RNA)
where:
Base-Base interactions energy: -894.836
where: short stacking energy: -353.308
Base-Backbone interact. energy: -2.463
local terms energy: -372.936408
where:
bonds (distance) C4'-P energy: -79.234
bonds (distance) P-C4' energy: -63.923
flat angles C4'-P-C4' energy: -70.179
flat angles P-C4'-P energy: -56.827
tors. eta vs tors. theta energy: -102.774
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: 2, replica: 10
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1214.261099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.261099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.567936 (E_RNA)
where:
Base-Base interactions energy: -847.216
where: short stacking energy: -345.880
Base-Backbone interact. energy: -1.565
local terms energy: -367.786765
where:
bonds (distance) C4'-P energy: -67.549
bonds (distance) P-C4' energy: -64.414
flat angles C4'-P-C4' energy: -77.814
flat angles P-C4'-P energy: -60.523
tors. eta vs tors. theta energy: -97.488
Dist. restrs. and SS energy: 2.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1198.609713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.609713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.851592 (E_RNA)
where:
Base-Base interactions energy: -836.345
where: short stacking energy: -349.465
Base-Backbone interact. energy: -1.460
local terms energy: -364.046566
where:
bonds (distance) C4'-P energy: -68.890
bonds (distance) P-C4' energy: -70.648
flat angles C4'-P-C4' energy: -70.635
flat angles P-C4'-P energy: -50.956
tors. eta vs tors. theta energy: -102.917
Dist. restrs. and SS energy: 3.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1173.111427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.111427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.002623 (E_RNA)
where:
Base-Base interactions energy: -811.886
where: short stacking energy: -342.727
Base-Backbone interact. energy: -1.376
local terms energy: -363.740259
where:
bonds (distance) C4'-P energy: -71.004
bonds (distance) P-C4' energy: -68.794
flat angles C4'-P-C4' energy: -75.349
flat angles P-C4'-P energy: -49.761
tors. eta vs tors. theta energy: -98.832
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: 5, replica: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1056.178175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.178175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.147964 (E_RNA)
where:
Base-Base interactions energy: -725.639
where: short stacking energy: -300.332
Base-Backbone interact. energy: -2.053
local terms energy: -331.455812
where:
bonds (distance) C4'-P energy: -55.979
bonds (distance) P-C4' energy: -68.605
flat angles C4'-P-C4' energy: -75.527
flat angles P-C4'-P energy: -51.043
tors. eta vs tors. theta energy: -80.302
Dist. restrs. and SS energy: 2.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1054.193604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.193604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.040328 (E_RNA)
where:
Base-Base interactions energy: -722.181
where: short stacking energy: -305.476
Base-Backbone interact. energy: 3.209
local terms energy: -339.067924
where:
bonds (distance) C4'-P energy: -56.763
bonds (distance) P-C4' energy: -58.874
flat angles C4'-P-C4' energy: -79.324
flat angles P-C4'-P energy: -47.193
tors. eta vs tors. theta energy: -96.913
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: 2
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1021.460757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.460757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.578925 (E_RNA)
where:
Base-Base interactions energy: -710.909
where: short stacking energy: -288.610
Base-Backbone interact. energy: 0.113
local terms energy: -313.782990
where:
bonds (distance) C4'-P energy: -55.057
bonds (distance) P-C4' energy: -63.566
flat angles C4'-P-C4' energy: -71.950
flat angles P-C4'-P energy: -48.454
tors. eta vs tors. theta energy: -74.756
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: 8, replica: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -968.999472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.999472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.791825 (E_RNA)
where:
Base-Base interactions energy: -667.725
where: short stacking energy: -255.937
Base-Backbone interact. energy: -0.935
local terms energy: -309.131509
where:
bonds (distance) C4'-P energy: -55.190
bonds (distance) P-C4' energy: -65.535
flat angles C4'-P-C4' energy: -65.307
flat angles P-C4'-P energy: -53.305
tors. eta vs tors. theta energy: -69.795
Dist. restrs. and SS energy: 8.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -903.444504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.444504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.376898 (E_RNA)
where:
Base-Base interactions energy: -668.136
where: short stacking energy: -278.395
Base-Backbone interact. energy: 0.863
local terms energy: -245.104524
where:
bonds (distance) C4'-P energy: -40.650
bonds (distance) P-C4' energy: -47.961
flat angles C4'-P-C4' energy: -64.461
flat angles P-C4'-P energy: -30.902
tors. eta vs tors. theta energy: -61.131
Dist. restrs. and SS energy: 8.932 (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: 5
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -866.424065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.424065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.058809 (E_RNA)
where:
Base-Base interactions energy: -604.589
where: short stacking energy: -246.141
Base-Backbone interact. energy: -1.923
local terms energy: -265.546766
where:
bonds (distance) C4'-P energy: -46.892
bonds (distance) P-C4' energy: -60.564
flat angles C4'-P-C4' energy: -60.526
flat angles P-C4'-P energy: -36.388
tors. eta vs tors. theta energy: -61.177
Dist. restrs. and SS energy: 5.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1264.352953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.352953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.966862 (E_RNA)
where:
Base-Base interactions energy: -884.078
where: short stacking energy: -360.352
Base-Backbone interact. energy: -4.535
local terms energy: -380.353588
where:
bonds (distance) C4'-P energy: -66.310
bonds (distance) P-C4' energy: -72.491
flat angles C4'-P-C4' energy: -84.886
flat angles P-C4'-P energy: -51.707
tors. eta vs tors. theta energy: -104.961
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: 2, replica: 10
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1213.657900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.657900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.877949 (E_RNA)
where:
Base-Base interactions energy: -830.889
where: short stacking energy: -354.142
Base-Backbone interact. energy: -0.261
local terms energy: -384.727767
where:
bonds (distance) C4'-P energy: -66.325
bonds (distance) P-C4' energy: -73.280
flat angles C4'-P-C4' energy: -87.043
flat angles P-C4'-P energy: -57.765
tors. eta vs tors. theta energy: -100.315
Dist. restrs. and SS energy: 2.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1161.948841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.948841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.254104 (E_RNA)
where:
Base-Base interactions energy: -802.958
where: short stacking energy: -336.803
Base-Backbone interact. energy: -0.913
local terms energy: -362.383087
where:
bonds (distance) C4'-P energy: -65.732
bonds (distance) P-C4' energy: -68.646
flat angles C4'-P-C4' energy: -77.387
flat angles P-C4'-P energy: -46.017
tors. eta vs tors. theta energy: -104.602
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: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1106.430736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.430736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.078472 (E_RNA)
where:
Base-Base interactions energy: -756.431
where: short stacking energy: -322.691
Base-Backbone interact. energy: -0.283
local terms energy: -350.365181
where:
bonds (distance) C4'-P energy: -73.507
bonds (distance) P-C4' energy: -66.912
flat angles C4'-P-C4' energy: -74.940
flat angles P-C4'-P energy: -56.215
tors. eta vs tors. theta energy: -78.792
Dist. restrs. and SS energy: 0.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1126.836442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.836442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.974034 (E_RNA)
where:
Base-Base interactions energy: -769.541
where: short stacking energy: -332.630
Base-Backbone interact. energy: -0.881
local terms energy: -361.552143
where:
bonds (distance) C4'-P energy: -65.309
bonds (distance) P-C4' energy: -68.044
flat angles C4'-P-C4' energy: -82.040
flat angles P-C4'-P energy: -52.026
tors. eta vs tors. theta energy: -94.133
Dist. restrs. and SS energy: 5.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1005.270796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.270796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.485935 (E_RNA)
where:
Base-Base interactions energy: -698.692
where: short stacking energy: -286.365
Base-Backbone interact. energy: 1.163
local terms energy: -313.957196
where:
bonds (distance) C4'-P energy: -57.913
bonds (distance) P-C4' energy: -63.004
flat angles C4'-P-C4' energy: -71.876
flat angles P-C4'-P energy: -49.116
tors. eta vs tors. theta energy: -72.048
Dist. restrs. and SS energy: 6.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1012.645443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.645443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.457143 (E_RNA)
where:
Base-Base interactions energy: -713.183
where: short stacking energy: -256.625
Base-Backbone interact. energy: 0.033
local terms energy: -304.307424
where:
bonds (distance) C4'-P energy: -65.898
bonds (distance) P-C4' energy: -60.904
flat angles C4'-P-C4' energy: -62.670
flat angles P-C4'-P energy: -40.828
tors. eta vs tors. theta energy: -74.009
Dist. restrs. and SS energy: 4.812 (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: 4
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -981.957708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.957708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.473903 (E_RNA)
where:
Base-Base interactions energy: -696.271
where: short stacking energy: -285.621
Base-Backbone interact. energy: -2.971
local terms energy: -289.232738
where:
bonds (distance) C4'-P energy: -40.591
bonds (distance) P-C4' energy: -60.179
flat angles C4'-P-C4' energy: -73.263
flat angles P-C4'-P energy: -38.566
tors. eta vs tors. theta energy: -76.634
Dist. restrs. and SS energy: 6.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -925.665517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.665517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.504830 (E_RNA)
where:
Base-Base interactions energy: -665.596
where: short stacking energy: -265.613
Base-Backbone interact. energy: 0.470
local terms energy: -265.378513
where:
bonds (distance) C4'-P energy: -48.863
bonds (distance) P-C4' energy: -48.931
flat angles C4'-P-C4' energy: -59.527
flat angles P-C4'-P energy: -41.678
tors. eta vs tors. theta energy: -66.380
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: 10, replica: 5
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -865.047734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.047734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.139116 (E_RNA)
where:
Base-Base interactions energy: -630.544
where: short stacking energy: -243.052
Base-Backbone interact. energy: 0.068
local terms energy: -241.663144
where:
bonds (distance) C4'-P energy: -42.614
bonds (distance) P-C4' energy: -61.876
flat angles C4'-P-C4' energy: -44.900
flat angles P-C4'-P energy: -35.510
tors. eta vs tors. theta energy: -56.764
Dist. restrs. and SS energy: 7.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1264.772396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.772396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.268749 (E_RNA)
where:
Base-Base interactions energy: -881.644
where: short stacking energy: -365.817
Base-Backbone interact. energy: -2.768
local terms energy: -385.857183
where:
bonds (distance) C4'-P energy: -74.235
bonds (distance) P-C4' energy: -70.088
flat angles C4'-P-C4' energy: -75.542
flat angles P-C4'-P energy: -60.770
tors. eta vs tors. theta energy: -105.222
Dist. restrs. and SS energy: 5.496 (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: 10
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1203.097264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.097264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.344451 (E_RNA)
where:
Base-Base interactions energy: -833.049
where: short stacking energy: -352.476
Base-Backbone interact. energy: -1.950
local terms energy: -370.345786
where:
bonds (distance) C4'-P energy: -63.343
bonds (distance) P-C4' energy: -73.681
flat angles C4'-P-C4' energy: -79.860
flat angles P-C4'-P energy: -53.789
tors. eta vs tors. theta energy: -99.672
Dist. restrs. and SS energy: 2.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1140.611168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.611168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.615981 (E_RNA)
where:
Base-Base interactions energy: -803.086
where: short stacking energy: -328.970
Base-Backbone interact. energy: 1.562
local terms energy: -343.092117
where:
bonds (distance) C4'-P energy: -68.205
bonds (distance) P-C4' energy: -62.787
flat angles C4'-P-C4' energy: -68.358
flat angles P-C4'-P energy: -54.310
tors. eta vs tors. theta energy: -89.432
Dist. restrs. and SS energy: 4.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1095.351868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.351868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.469656 (E_RNA)
where:
Base-Base interactions energy: -764.504
where: short stacking energy: -319.235
Base-Backbone interact. energy: 0.001
local terms energy: -331.966493
where:
bonds (distance) C4'-P energy: -58.609
bonds (distance) P-C4' energy: -65.022
flat angles C4'-P-C4' energy: -78.130
flat angles P-C4'-P energy: -42.822
tors. eta vs tors. theta energy: -87.384
Dist. restrs. and SS energy: 1.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1123.167665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.167665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.943078 (E_RNA)
where:
Base-Base interactions energy: -794.816
where: short stacking energy: -336.101
Base-Backbone interact. energy: -2.325
local terms energy: -328.801805
where:
bonds (distance) C4'-P energy: -58.510
bonds (distance) P-C4' energy: -65.725
flat angles C4'-P-C4' energy: -68.336
flat angles P-C4'-P energy: -40.273
tors. eta vs tors. theta energy: -95.958
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: 6, replica: 7
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1028.192426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.192426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.565565 (E_RNA)
where:
Base-Base interactions energy: -726.981
where: short stacking energy: -287.617
Base-Backbone interact. energy: -1.349
local terms energy: -305.235267
where:
bonds (distance) C4'-P energy: -58.225
bonds (distance) P-C4' energy: -67.510
flat angles C4'-P-C4' energy: -74.554
flat angles P-C4'-P energy: -30.980
tors. eta vs tors. theta energy: -73.967
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: 7, replica: 4
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -949.021882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.021882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.615218 (E_RNA)
where:
Base-Base interactions energy: -662.900
where: short stacking energy: -265.443
Base-Backbone interact. energy: -1.273
local terms energy: -287.441359
where:
bonds (distance) C4'-P energy: -58.963
bonds (distance) P-C4' energy: -72.262
flat angles C4'-P-C4' energy: -63.137
flat angles P-C4'-P energy: -34.799
tors. eta vs tors. theta energy: -58.281
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: 8, replica: 2
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -983.884822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.884822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.640538 (E_RNA)
where:
Base-Base interactions energy: -705.327
where: short stacking energy: -282.207
Base-Backbone interact. energy: -0.377
local terms energy: -281.936953
where:
bonds (distance) C4'-P energy: -57.433
bonds (distance) P-C4' energy: -61.715
flat angles C4'-P-C4' energy: -61.963
flat angles P-C4'-P energy: -34.472
tors. eta vs tors. theta energy: -66.354
Dist. restrs. and SS energy: 3.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -924.350892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.350892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.103104 (E_RNA)
where:
Base-Base interactions energy: -657.190
where: short stacking energy: -257.903
Base-Backbone interact. energy: 0.938
local terms energy: -275.850634
where:
bonds (distance) C4'-P energy: -45.354
bonds (distance) P-C4' energy: -57.315
flat angles C4'-P-C4' energy: -68.204
flat angles P-C4'-P energy: -50.522
tors. eta vs tors. theta energy: -54.456
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: 10, replica: 5
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -883.026577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.026577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.741766 (E_RNA)
where:
Base-Base interactions energy: -616.963
where: short stacking energy: -253.046
Base-Backbone interact. energy: -1.391
local terms energy: -276.387416
where:
bonds (distance) C4'-P energy: -42.318
bonds (distance) P-C4' energy: -67.284
flat angles C4'-P-C4' energy: -60.686
flat angles P-C4'-P energy: -38.106
tors. eta vs tors. theta energy: -67.994
Dist. restrs. and SS energy: 11.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1276.826337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.826337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.717768 (E_RNA)
where:
Base-Base interactions energy: -899.702
where: short stacking energy: -379.980
Base-Backbone interact. energy: 0.446
local terms energy: -381.461352
where:
bonds (distance) C4'-P energy: -63.630
bonds (distance) P-C4' energy: -72.670
flat angles C4'-P-C4' energy: -74.471
flat angles P-C4'-P energy: -61.120
tors. eta vs tors. theta energy: -109.570
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: 2, replica: 10
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1196.392545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.392545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.169591 (E_RNA)
where:
Base-Base interactions energy: -832.021
where: short stacking energy: -336.244
Base-Backbone interact. energy: -2.614
local terms energy: -365.534843
where:
bonds (distance) C4'-P energy: -74.712
bonds (distance) P-C4' energy: -70.321
flat angles C4'-P-C4' energy: -75.205
flat angles P-C4'-P energy: -48.685
tors. eta vs tors. theta energy: -96.612
Dist. restrs. and SS energy: 3.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1165.125042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.125042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.491992 (E_RNA)
where:
Base-Base interactions energy: -798.453
where: short stacking energy: -328.255
Base-Backbone interact. energy: -2.856
local terms energy: -367.182982
where:
bonds (distance) C4'-P energy: -62.004
bonds (distance) P-C4' energy: -73.756
flat angles C4'-P-C4' energy: -75.655
flat angles P-C4'-P energy: -61.101
tors. eta vs tors. theta energy: -94.667
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: 8
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1163.835636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.835636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.910773 (E_RNA)
where:
Base-Base interactions energy: -797.951
where: short stacking energy: -331.865
Base-Backbone interact. energy: 0.209
local terms energy: -367.168800
where:
bonds (distance) C4'-P energy: -65.248
bonds (distance) P-C4' energy: -66.160
flat angles C4'-P-C4' energy: -79.958
flat angles P-C4'-P energy: -51.598
tors. eta vs tors. theta energy: -104.205
Dist. restrs. and SS energy: 1.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1095.782384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.782384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.779033 (E_RNA)
where:
Base-Base interactions energy: -774.441
where: short stacking energy: -316.934
Base-Backbone interact. energy: -1.193
local terms energy: -321.145379
where:
bonds (distance) C4'-P energy: -56.418
bonds (distance) P-C4' energy: -65.693
flat angles C4'-P-C4' energy: -72.708
flat angles P-C4'-P energy: -44.129
tors. eta vs tors. theta energy: -82.196
Dist. restrs. and SS energy: 0.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1033.247220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.247220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.258477 (E_RNA)
where:
Base-Base interactions energy: -734.712
where: short stacking energy: -285.131
Base-Backbone interact. energy: 1.681
local terms energy: -303.227814
where:
bonds (distance) C4'-P energy: -58.678
bonds (distance) P-C4' energy: -64.600
flat angles C4'-P-C4' energy: -59.712
flat angles P-C4'-P energy: -39.439
tors. eta vs tors. theta energy: -80.800
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: 7, replica: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -952.476560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.476560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.989154 (E_RNA)
where:
Base-Base interactions energy: -659.734
where: short stacking energy: -287.471
Base-Backbone interact. energy: 1.008
local terms energy: -298.263129
where:
bonds (distance) C4'-P energy: -58.919
bonds (distance) P-C4' energy: -65.445
flat angles C4'-P-C4' energy: -64.627
flat angles P-C4'-P energy: -35.469
tors. eta vs tors. theta energy: -73.803
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: 2
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -938.203529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.203529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.699311 (E_RNA)
where:
Base-Base interactions energy: -693.215
where: short stacking energy: -275.643
Base-Backbone interact. energy: 2.268
local terms energy: -249.752735
where:
bonds (distance) C4'-P energy: -48.592
bonds (distance) P-C4' energy: -48.531
flat angles C4'-P-C4' energy: -54.775
flat angles P-C4'-P energy: -38.777
tors. eta vs tors. theta energy: -59.077
Dist. restrs. and SS energy: 2.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -937.730054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.730054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.323121 (E_RNA)
where:
Base-Base interactions energy: -646.658
where: short stacking energy: -258.940
Base-Backbone interact. energy: -0.269
local terms energy: -294.396447
where:
bonds (distance) C4'-P energy: -59.386
bonds (distance) P-C4' energy: -65.849
flat angles C4'-P-C4' energy: -60.348
flat angles P-C4'-P energy: -36.401
tors. eta vs tors. theta energy: -72.413
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: 10, replica: 5
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -886.006991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.006991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.882945 (E_RNA)
where:
Base-Base interactions energy: -625.316
where: short stacking energy: -238.863
Base-Backbone interact. energy: 5.478
local terms energy: -271.045235
where:
bonds (distance) C4'-P energy: -52.450
bonds (distance) P-C4' energy: -71.701
flat angles C4'-P-C4' energy: -54.128
flat angles P-C4'-P energy: -37.210
tors. eta vs tors. theta energy: -55.555
Dist. restrs. and SS energy: 4.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1258.183171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.183171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.232293 (E_RNA)
where:
Base-Base interactions energy: -871.315
where: short stacking energy: -374.019
Base-Backbone interact. energy: -3.134
local terms energy: -387.782479
where:
bonds (distance) C4'-P energy: -67.778
bonds (distance) P-C4' energy: -67.428
flat angles C4'-P-C4' energy: -90.694
flat angles P-C4'-P energy: -51.705
tors. eta vs tors. theta energy: -110.177
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: 2, replica: 10
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1177.819250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.819250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.461917 (E_RNA)
where:
Base-Base interactions energy: -804.441
where: short stacking energy: -356.139
Base-Backbone interact. energy: -1.727
local terms energy: -374.293609
where:
bonds (distance) C4'-P energy: -69.748
bonds (distance) P-C4' energy: -68.458
flat angles C4'-P-C4' energy: -82.355
flat angles P-C4'-P energy: -51.136
tors. eta vs tors. theta energy: -102.597
Dist. restrs. and SS energy: 2.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1167.658216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.658216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.573663 (E_RNA)
where:
Base-Base interactions energy: -823.735
where: short stacking energy: -327.235
Base-Backbone interact. energy: -1.185
local terms energy: -346.653367
where:
bonds (distance) C4'-P energy: -67.528
bonds (distance) P-C4' energy: -76.633
flat angles C4'-P-C4' energy: -76.185
flat angles P-C4'-P energy: -38.520
tors. eta vs tors. theta energy: -87.787
Dist. restrs. and SS energy: 3.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1144.264534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.264534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.713330 (E_RNA)
where:
Base-Base interactions energy: -786.923
where: short stacking energy: -334.649
Base-Backbone interact. energy: -1.576
local terms energy: -359.214081
where:
bonds (distance) C4'-P energy: -66.320
bonds (distance) P-C4' energy: -71.953
flat angles C4'-P-C4' energy: -69.347
flat angles P-C4'-P energy: -55.543
tors. eta vs tors. theta energy: -96.051
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: 5, replica: 7
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1064.531703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.531703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.311686 (E_RNA)
where:
Base-Base interactions energy: -738.054
where: short stacking energy: -315.309
Base-Backbone interact. energy: 0.364
local terms energy: -331.621875
where:
bonds (distance) C4'-P energy: -53.180
bonds (distance) P-C4' energy: -65.970
flat angles C4'-P-C4' energy: -72.763
flat angles P-C4'-P energy: -51.993
tors. eta vs tors. theta energy: -87.715
Dist. restrs. and SS energy: 4.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1042.869339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.869339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.297136 (E_RNA)
where:
Base-Base interactions energy: -720.525
where: short stacking energy: -294.159
Base-Backbone interact. energy: -2.058
local terms energy: -320.713813
where:
bonds (distance) C4'-P energy: -58.010
bonds (distance) P-C4' energy: -68.243
flat angles C4'-P-C4' energy: -64.663
flat angles P-C4'-P energy: -43.671
tors. eta vs tors. theta energy: -86.127
Dist. restrs. and SS energy: 0.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1001.410948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.410948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.356319 (E_RNA)
where:
Base-Base interactions energy: -698.842
where: short stacking energy: -273.161
Base-Backbone interact. energy: -2.221
local terms energy: -302.293161
where:
bonds (distance) C4'-P energy: -64.602
bonds (distance) P-C4' energy: -66.378
flat angles C4'-P-C4' energy: -65.160
flat angles P-C4'-P energy: -32.791
tors. eta vs tors. theta energy: -73.362
Dist. restrs. and SS energy: 1.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -935.571682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.571682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.589003 (E_RNA)
where:
Base-Base interactions energy: -646.613
where: short stacking energy: -263.877
Base-Backbone interact. energy: -0.696
local terms energy: -295.280293
where:
bonds (distance) C4'-P energy: -50.961
bonds (distance) P-C4' energy: -60.262
flat angles C4'-P-C4' energy: -69.577
flat angles P-C4'-P energy: -44.999
tors. eta vs tors. theta energy: -69.483
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: 5
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -904.689608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.689608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.709120 (E_RNA)
where:
Base-Base interactions energy: -630.275
where: short stacking energy: -256.650
Base-Backbone interact. energy: 0.161
local terms energy: -278.594310
where:
bonds (distance) C4'-P energy: -46.113
bonds (distance) P-C4' energy: -60.600
flat angles C4'-P-C4' energy: -64.193
flat angles P-C4'-P energy: -41.297
tors. eta vs tors. theta energy: -66.391
Dist. restrs. and SS energy: 4.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -880.534594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.534594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.927165 (E_RNA)
where:
Base-Base interactions energy: -607.915
where: short stacking energy: -245.558
Base-Backbone interact. energy: -0.204
local terms energy: -279.807793
where:
bonds (distance) C4'-P energy: -49.556
bonds (distance) P-C4' energy: -65.876
flat angles C4'-P-C4' energy: -50.343
flat angles P-C4'-P energy: -43.349
tors. eta vs tors. theta energy: -70.684
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: 1, replica: 9
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1255.914922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.914922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.158494 (E_RNA)
where:
Base-Base interactions energy: -878.051
where: short stacking energy: -364.663
Base-Backbone interact. energy: -2.772
local terms energy: -379.335794
where:
bonds (distance) C4'-P energy: -65.843
bonds (distance) P-C4' energy: -65.290
flat angles C4'-P-C4' energy: -80.197
flat angles P-C4'-P energy: -59.153
tors. eta vs tors. theta energy: -108.852
Dist. restrs. and SS energy: 4.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1180.959162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.959162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.302234 (E_RNA)
where:
Base-Base interactions energy: -823.443
where: short stacking energy: -357.800
Base-Backbone interact. energy: -0.055
local terms energy: -360.803675
where:
bonds (distance) C4'-P energy: -61.256
bonds (distance) P-C4' energy: -76.158
flat angles C4'-P-C4' energy: -72.706
flat angles P-C4'-P energy: -57.318
tors. eta vs tors. theta energy: -93.366
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: 3, replica: 10
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1176.750078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.750078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.374828 (E_RNA)
where:
Base-Base interactions energy: -824.508
where: short stacking energy: -344.440
Base-Backbone interact. energy: -1.761
local terms energy: -354.105739
where:
bonds (distance) C4'-P energy: -57.541
bonds (distance) P-C4' energy: -60.450
flat angles C4'-P-C4' energy: -78.187
flat angles P-C4'-P energy: -55.653
tors. eta vs tors. theta energy: -102.275
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: 4, replica: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1139.291113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.291113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.677863 (E_RNA)
where:
Base-Base interactions energy: -794.101
where: short stacking energy: -321.949
Base-Backbone interact. energy: 1.942
local terms energy: -351.518404
where:
bonds (distance) C4'-P energy: -60.160
bonds (distance) P-C4' energy: -72.364
flat angles C4'-P-C4' energy: -74.842
flat angles P-C4'-P energy: -59.212
tors. eta vs tors. theta energy: -84.941
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: 7
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1076.991796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.991796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.431563 (E_RNA)
where:
Base-Base interactions energy: -746.498
where: short stacking energy: -325.735
Base-Backbone interact. energy: -1.540
local terms energy: -332.393682
where:
bonds (distance) C4'-P energy: -51.779
bonds (distance) P-C4' energy: -56.564
flat angles C4'-P-C4' energy: -75.482
flat angles P-C4'-P energy: -56.575
tors. eta vs tors. theta energy: -91.994
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: 3
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1030.548598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.548598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.916605 (E_RNA)
where:
Base-Base interactions energy: -710.888
where: short stacking energy: -291.032
Base-Backbone interact. energy: -1.384
local terms energy: -318.644689
where:
bonds (distance) C4'-P energy: -59.315
bonds (distance) P-C4' energy: -57.138
flat angles C4'-P-C4' energy: -75.956
flat angles P-C4'-P energy: -46.875
tors. eta vs tors. theta energy: -79.361
Dist. restrs. and SS energy: 0.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -958.868972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.868972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.107697 (E_RNA)
where:
Base-Base interactions energy: -681.093
where: short stacking energy: -269.800
Base-Backbone interact. energy: -0.275
local terms energy: -281.739832
where:
bonds (distance) C4'-P energy: -52.938
bonds (distance) P-C4' energy: -64.368
flat angles C4'-P-C4' energy: -63.112
flat angles P-C4'-P energy: -47.557
tors. eta vs tors. theta energy: -53.765
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: 8, replica: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -954.351669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.351669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.380914 (E_RNA)
where:
Base-Base interactions energy: -664.325
where: short stacking energy: -262.114
Base-Backbone interact. energy: 3.793
local terms energy: -294.849384
where:
bonds (distance) C4'-P energy: -65.199
bonds (distance) P-C4' energy: -63.855
flat angles C4'-P-C4' energy: -63.703
flat angles P-C4'-P energy: -39.393
tors. eta vs tors. theta energy: -62.699
Dist. restrs. and SS energy: 1.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -902.600648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.600648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.095501 (E_RNA)
where:
Base-Base interactions energy: -639.596
where: short stacking energy: -238.363
Base-Backbone interact. energy: -0.231
local terms energy: -268.268603
where:
bonds (distance) C4'-P energy: -58.920
bonds (distance) P-C4' energy: -61.876
flat angles C4'-P-C4' energy: -59.731
flat angles P-C4'-P energy: -35.875
tors. eta vs tors. theta energy: -51.867
Dist. restrs. and SS energy: 5.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -898.087076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.087076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.171857 (E_RNA)
where:
Base-Base interactions energy: -622.712
where: short stacking energy: -254.574
Base-Backbone interact. energy: -0.835
local terms energy: -283.624781
where:
bonds (distance) C4'-P energy: -66.920
bonds (distance) P-C4' energy: -53.631
flat angles C4'-P-C4' energy: -65.209
flat angles P-C4'-P energy: -36.808
tors. eta vs tors. theta energy: -61.058
Dist. restrs. and SS energy: 9.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1259.229481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.229481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.976087 (E_RNA)
where:
Base-Base interactions energy: -895.862
where: short stacking energy: -373.155
Base-Backbone interact. energy: -2.957
local terms energy: -365.157166
where:
bonds (distance) C4'-P energy: -68.287
bonds (distance) P-C4' energy: -58.110
flat angles C4'-P-C4' energy: -74.510
flat angles P-C4'-P energy: -61.014
tors. eta vs tors. theta energy: -103.236
Dist. restrs. and SS energy: 4.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1173.251800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.251800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.719706 (E_RNA)
where:
Base-Base interactions energy: -814.970
where: short stacking energy: -329.742
Base-Backbone interact. energy: -1.562
local terms energy: -360.187416
where:
bonds (distance) C4'-P energy: -72.096
bonds (distance) P-C4' energy: -62.977
flat angles C4'-P-C4' energy: -83.365
flat angles P-C4'-P energy: -50.068
tors. eta vs tors. theta energy: -91.681
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: 6
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1159.351821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.351821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.605733 (E_RNA)
where:
Base-Base interactions energy: -805.308
where: short stacking energy: -344.391
Base-Backbone interact. energy: -2.657
local terms energy: -356.640736
where:
bonds (distance) C4'-P energy: -62.758
bonds (distance) P-C4' energy: -58.976
flat angles C4'-P-C4' energy: -84.247
flat angles P-C4'-P energy: -52.668
tors. eta vs tors. theta energy: -97.991
Dist. restrs. and SS energy: 5.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1108.858369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.858369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.280487 (E_RNA)
where:
Base-Base interactions energy: -770.183
where: short stacking energy: -310.500
Base-Backbone interact. energy: -0.346
local terms energy: -341.751690
where:
bonds (distance) C4'-P energy: -66.547
bonds (distance) P-C4' energy: -69.108
flat angles C4'-P-C4' energy: -70.343
flat angles P-C4'-P energy: -50.783
tors. eta vs tors. theta energy: -84.971
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: 5, replica: 7
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1072.116809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.116809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.788192 (E_RNA)
where:
Base-Base interactions energy: -754.554
where: short stacking energy: -311.163
Base-Backbone interact. energy: -1.290
local terms energy: -318.943517
where:
bonds (distance) C4'-P energy: -55.710
bonds (distance) P-C4' energy: -66.838
flat angles C4'-P-C4' energy: -57.082
flat angles P-C4'-P energy: -46.648
tors. eta vs tors. theta energy: -92.665
Dist. restrs. and SS energy: 2.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1016.075928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.075928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.568008 (E_RNA)
where:
Base-Base interactions energy: -701.193
where: short stacking energy: -279.422
Base-Backbone interact. energy: -0.252
local terms energy: -315.123644
where:
bonds (distance) C4'-P energy: -52.179
bonds (distance) P-C4' energy: -73.017
flat angles C4'-P-C4' energy: -69.899
flat angles P-C4'-P energy: -48.310
tors. eta vs tors. theta energy: -71.718
Dist. restrs. and SS energy: 0.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -970.125546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.125546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.266925 (E_RNA)
where:
Base-Base interactions energy: -677.115
where: short stacking energy: -287.590
Base-Backbone interact. energy: -1.261
local terms energy: -293.891296
where:
bonds (distance) C4'-P energy: -50.147
bonds (distance) P-C4' energy: -73.612
flat angles C4'-P-C4' energy: -56.163
flat angles P-C4'-P energy: -41.815
tors. eta vs tors. theta energy: -72.153
Dist. restrs. and SS energy: 2.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -938.656702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.656702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.388370 (E_RNA)
where:
Base-Base interactions energy: -657.078
where: short stacking energy: -240.600
Base-Backbone interact. energy: -1.198
local terms energy: -284.111948
where:
bonds (distance) C4'-P energy: -47.520
bonds (distance) P-C4' energy: -64.520
flat angles C4'-P-C4' energy: -71.215
flat angles P-C4'-P energy: -38.054
tors. eta vs tors. theta energy: -62.803
Dist. restrs. and SS energy: 3.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -913.603197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.603197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.067283 (E_RNA)
where:
Base-Base interactions energy: -644.669
where: short stacking energy: -252.796
Base-Backbone interact. energy: -1.163
local terms energy: -272.235882
where:
bonds (distance) C4'-P energy: -57.003
bonds (distance) P-C4' energy: -50.893
flat angles C4'-P-C4' energy: -57.981
flat angles P-C4'-P energy: -37.451
tors. eta vs tors. theta energy: -68.908
Dist. restrs. and SS energy: 4.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -870.604209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.604209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.766604 (E_RNA)
where:
Base-Base interactions energy: -600.899
where: short stacking energy: -252.350
Base-Backbone interact. energy: 0.120
local terms energy: -275.987789
where:
bonds (distance) C4'-P energy: -59.194
bonds (distance) P-C4' energy: -57.642
flat angles C4'-P-C4' energy: -52.915
flat angles P-C4'-P energy: -37.487
tors. eta vs tors. theta energy: -68.750
Dist. restrs. and SS energy: 6.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1267.440528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.440528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.024634 (E_RNA)
where:
Base-Base interactions energy: -871.593
where: short stacking energy: -368.999
Base-Backbone interact. energy: -4.213
local terms energy: -395.219080
where:
bonds (distance) C4'-P energy: -76.825
bonds (distance) P-C4' energy: -71.514
flat angles C4'-P-C4' energy: -81.599
flat angles P-C4'-P energy: -56.014
tors. eta vs tors. theta energy: -109.267
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: 2, replica: 8
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1227.565443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.565443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.589870 (E_RNA)
where:
Base-Base interactions energy: -850.418
where: short stacking energy: -365.670
Base-Backbone interact. energy: -0.554
local terms energy: -380.618078
where:
bonds (distance) C4'-P energy: -67.922
bonds (distance) P-C4' energy: -71.169
flat angles C4'-P-C4' energy: -78.736
flat angles P-C4'-P energy: -54.378
tors. eta vs tors. theta energy: -108.413
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: 3, replica: 6
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1144.835542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.835542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.553257 (E_RNA)
where:
Base-Base interactions energy: -817.846
where: short stacking energy: -325.082
Base-Backbone interact. energy: 1.808
local terms energy: -332.514842
where:
bonds (distance) C4'-P energy: -63.490
bonds (distance) P-C4' energy: -55.299
flat angles C4'-P-C4' energy: -69.059
flat angles P-C4'-P energy: -50.753
tors. eta vs tors. theta energy: -93.914
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: 4, replica: 10
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1109.331225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.331225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.459866 (E_RNA)
where:
Base-Base interactions energy: -763.356
where: short stacking energy: -323.499
Base-Backbone interact. energy: -0.935
local terms energy: -349.168937
where:
bonds (distance) C4'-P energy: -61.934
bonds (distance) P-C4' energy: -75.037
flat angles C4'-P-C4' energy: -71.504
flat angles P-C4'-P energy: -57.823
tors. eta vs tors. theta energy: -82.871
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: 5, replica: 7
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1090.090198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.090198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.909426 (E_RNA)
where:
Base-Base interactions energy: -756.164
where: short stacking energy: -300.064
Base-Backbone interact. energy: -1.420
local terms energy: -333.325783
where:
bonds (distance) C4'-P energy: -63.877
bonds (distance) P-C4' energy: -73.442
flat angles C4'-P-C4' energy: -65.127
flat angles P-C4'-P energy: -49.815
tors. eta vs tors. theta energy: -81.065
Dist. restrs. and SS energy: 0.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -993.361854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.361854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.889281 (E_RNA)
where:
Base-Base interactions energy: -693.334
where: short stacking energy: -266.233
Base-Backbone interact. energy: -0.860
local terms energy: -300.694992
where:
bonds (distance) C4'-P energy: -60.264
bonds (distance) P-C4' energy: -71.189
flat angles C4'-P-C4' energy: -67.001
flat angles P-C4'-P energy: -38.655
tors. eta vs tors. theta energy: -63.585
Dist. restrs. and SS energy: 1.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -990.789251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.789251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.895317 (E_RNA)
where:
Base-Base interactions energy: -668.847
where: short stacking energy: -277.045
Base-Backbone interact. energy: -1.662
local terms energy: -321.386104
where:
bonds (distance) C4'-P energy: -75.429
bonds (distance) P-C4' energy: -59.259
flat angles C4'-P-C4' energy: -74.047
flat angles P-C4'-P energy: -50.462
tors. eta vs tors. theta energy: -62.189
Dist. restrs. and SS energy: 1.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -958.293336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.293336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.395896 (E_RNA)
where:
Base-Base interactions energy: -660.445
where: short stacking energy: -259.740
Base-Backbone interact. energy: -0.727
local terms energy: -308.224487
where:
bonds (distance) C4'-P energy: -67.647
bonds (distance) P-C4' energy: -52.358
flat angles C4'-P-C4' energy: -67.250
flat angles P-C4'-P energy: -55.134
tors. eta vs tors. theta energy: -65.835
Dist. restrs. and SS energy: 11.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -882.865691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.865691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.137306 (E_RNA)
where:
Base-Base interactions energy: -621.879
where: short stacking energy: -239.285
Base-Backbone interact. energy: -1.533
local terms energy: -268.724662
where:
bonds (distance) C4'-P energy: -53.986
bonds (distance) P-C4' energy: -58.345
flat angles C4'-P-C4' energy: -54.998
flat angles P-C4'-P energy: -41.121
tors. eta vs tors. theta energy: -60.275
Dist. restrs. and SS energy: 9.272 (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: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -902.228754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.228754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.336062 (E_RNA)
where:
Base-Base interactions energy: -663.273
where: short stacking energy: -249.990
Base-Backbone interact. energy: 4.890
local terms energy: -248.953492
where:
bonds (distance) C4'-P energy: -42.823
bonds (distance) P-C4' energy: -33.887
flat angles C4'-P-C4' energy: -62.797
flat angles P-C4'-P energy: -35.699
tors. eta vs tors. theta energy: -73.748
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: 1, replica: 9
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1259.778961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.778961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.502414 (E_RNA)
where:
Base-Base interactions energy: -905.325
where: short stacking energy: -371.674
Base-Backbone interact. energy: -4.110
local terms energy: -354.067535
where:
bonds (distance) C4'-P energy: -71.619
bonds (distance) P-C4' energy: -59.361
flat angles C4'-P-C4' energy: -79.267
flat angles P-C4'-P energy: -48.368
tors. eta vs tors. theta energy: -95.452
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: 2, replica: 8
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1222.051655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.051655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.677434 (E_RNA)
where:
Base-Base interactions energy: -851.447
where: short stacking energy: -364.409
Base-Backbone interact. energy: -1.948
local terms energy: -372.282383
where:
bonds (distance) C4'-P energy: -69.603
bonds (distance) P-C4' energy: -67.274
flat angles C4'-P-C4' energy: -77.381
flat angles P-C4'-P energy: -55.653
tors. eta vs tors. theta energy: -102.371
Dist. restrs. and SS energy: 3.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1162.654608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.654608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.561041 (E_RNA)
where:
Base-Base interactions energy: -808.351
where: short stacking energy: -337.211
Base-Backbone interact. energy: -0.384
local terms energy: -358.826005
where:
bonds (distance) C4'-P energy: -65.397
bonds (distance) P-C4' energy: -61.094
flat angles C4'-P-C4' energy: -81.933
flat angles P-C4'-P energy: -55.389
tors. eta vs tors. theta energy: -95.012
Dist. restrs. and SS energy: 4.906 (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: 10
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1119.075529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.075529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.577617 (E_RNA)
where:
Base-Base interactions energy: -776.053
where: short stacking energy: -311.668
Base-Backbone interact. energy: 0.679
local terms energy: -347.203854
where:
bonds (distance) C4'-P energy: -61.888
bonds (distance) P-C4' energy: -69.407
flat angles C4'-P-C4' energy: -77.064
flat angles P-C4'-P energy: -48.449
tors. eta vs tors. theta energy: -90.395
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: 7
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1101.020985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.020985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.104767 (E_RNA)
where:
Base-Base interactions energy: -783.472
where: short stacking energy: -318.195
Base-Backbone interact. energy: -2.742
local terms energy: -317.891103
where:
bonds (distance) C4'-P energy: -61.404
bonds (distance) P-C4' energy: -67.192
flat angles C4'-P-C4' energy: -64.661
flat angles P-C4'-P energy: -31.736
tors. eta vs tors. theta energy: -92.898
Dist. restrs. and SS energy: 3.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1012.017274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.017274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.324926 (E_RNA)
where:
Base-Base interactions energy: -707.950
where: short stacking energy: -289.070
Base-Backbone interact. energy: -1.484
local terms energy: -306.890856
where:
bonds (distance) C4'-P energy: -51.937
bonds (distance) P-C4' energy: -70.890
flat angles C4'-P-C4' energy: -64.809
flat angles P-C4'-P energy: -41.961
tors. eta vs tors. theta energy: -77.295
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: 7, replica: 3
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -983.641488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.641488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.857398 (E_RNA)
where:
Base-Base interactions energy: -688.878
where: short stacking energy: -275.607
Base-Backbone interact. energy: 4.014
local terms energy: -300.992987
where:
bonds (distance) C4'-P energy: -63.564
bonds (distance) P-C4' energy: -60.186
flat angles C4'-P-C4' energy: -65.880
flat angles P-C4'-P energy: -47.973
tors. eta vs tors. theta energy: -63.390
Dist. restrs. and SS energy: 2.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -957.762789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.762789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.339431 (E_RNA)
where:
Base-Base interactions energy: -679.976
where: short stacking energy: -263.109
Base-Backbone interact. energy: -2.046
local terms energy: -277.317341
where:
bonds (distance) C4'-P energy: -57.618
bonds (distance) P-C4' energy: -57.205
flat angles C4'-P-C4' energy: -61.755
flat angles P-C4'-P energy: -43.204
tors. eta vs tors. theta energy: -57.535
Dist. restrs. and SS energy: 1.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -869.297038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.297038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.526474 (E_RNA)
where:
Base-Base interactions energy: -619.044
where: short stacking energy: -242.754
Base-Backbone interact. energy: -1.309
local terms energy: -253.173241
where:
bonds (distance) C4'-P energy: -56.637
bonds (distance) P-C4' energy: -44.590
flat angles C4'-P-C4' energy: -61.052
flat angles P-C4'-P energy: -27.611
tors. eta vs tors. theta energy: -63.283
Dist. restrs. and SS energy: 4.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -875.111460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.111460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.345781 (E_RNA)
where:
Base-Base interactions energy: -621.534
where: short stacking energy: -235.391
Base-Backbone interact. energy: 0.077
local terms energy: -257.888967
where:
bonds (distance) C4'-P energy: -46.378
bonds (distance) P-C4' energy: -63.562
flat angles C4'-P-C4' energy: -58.369
flat angles P-C4'-P energy: -39.086
tors. eta vs tors. theta energy: -50.495
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: 1, replica: 9
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1247.352999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.352999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.877116 (E_RNA)
where:
Base-Base interactions energy: -885.445
where: short stacking energy: -350.484
Base-Backbone interact. energy: -2.997
local terms energy: -363.434985
where:
bonds (distance) C4'-P energy: -64.204
bonds (distance) P-C4' energy: -70.618
flat angles C4'-P-C4' energy: -78.347
flat angles P-C4'-P energy: -54.608
tors. eta vs tors. theta energy: -95.658
Dist. restrs. and SS energy: 4.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1207.660261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.660261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.251003 (E_RNA)
where:
Base-Base interactions energy: -836.527
where: short stacking energy: -362.535
Base-Backbone interact. energy: -1.542
local terms energy: -373.181248
where:
bonds (distance) C4'-P energy: -60.420
bonds (distance) P-C4' energy: -76.548
flat angles C4'-P-C4' energy: -80.716
flat angles P-C4'-P energy: -50.228
tors. eta vs tors. theta energy: -105.270
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: 3, replica: 6
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1195.164328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.164328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.444488 (E_RNA)
where:
Base-Base interactions energy: -817.887
where: short stacking energy: -340.107
Base-Backbone interact. energy: -1.756
local terms energy: -380.801316
where:
bonds (distance) C4'-P energy: -78.786
bonds (distance) P-C4' energy: -67.536
flat angles C4'-P-C4' energy: -67.788
flat angles P-C4'-P energy: -58.830
tors. eta vs tors. theta energy: -107.861
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: 4, replica: 10
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1124.778513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.778513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.024232 (E_RNA)
where:
Base-Base interactions energy: -790.642
where: short stacking energy: -315.157
Base-Backbone interact. energy: 0.116
local terms energy: -337.498748
where:
bonds (distance) C4'-P energy: -53.973
bonds (distance) P-C4' energy: -62.658
flat angles C4'-P-C4' energy: -78.034
flat angles P-C4'-P energy: -52.080
tors. eta vs tors. theta energy: -90.754
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: 5, replica: 7
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1081.273251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.273251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.707321 (E_RNA)
where:
Base-Base interactions energy: -772.417
where: short stacking energy: -310.034
Base-Backbone interact. energy: -1.084
local terms energy: -311.206619
where:
bonds (distance) C4'-P energy: -50.196
bonds (distance) P-C4' energy: -65.525
flat angles C4'-P-C4' energy: -75.313
flat angles P-C4'-P energy: -37.354
tors. eta vs tors. theta energy: -82.818
Dist. restrs. and SS energy: 3.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1065.951875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.951875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.373924 (E_RNA)
where:
Base-Base interactions energy: -766.082
where: short stacking energy: -315.187
Base-Backbone interact. energy: 2.721
local terms energy: -305.013379
where:
bonds (distance) C4'-P energy: -51.973
bonds (distance) P-C4' energy: -66.719
flat angles C4'-P-C4' energy: -70.974
flat angles P-C4'-P energy: -33.490
tors. eta vs tors. theta energy: -81.859
Dist. restrs. and SS energy: 2.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -979.420381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.420381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.326651 (E_RNA)
where:
Base-Base interactions energy: -667.665
where: short stacking energy: -267.656
Base-Backbone interact. energy: -0.971
local terms energy: -314.689966
where:
bonds (distance) C4'-P energy: -72.744
bonds (distance) P-C4' energy: -52.791
flat angles C4'-P-C4' energy: -68.329
flat angles P-C4'-P energy: -42.242
tors. eta vs tors. theta energy: -78.584
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: 8, replica: 2
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -965.610238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.610238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.345982 (E_RNA)
where:
Base-Base interactions energy: -665.597
where: short stacking energy: -258.441
Base-Backbone interact. energy: -0.832
local terms energy: -308.916642
where:
bonds (distance) C4'-P energy: -63.538
bonds (distance) P-C4' energy: -62.235
flat angles C4'-P-C4' energy: -66.837
flat angles P-C4'-P energy: -53.395
tors. eta vs tors. theta energy: -62.912
Dist. restrs. and SS energy: 9.736 (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: 5
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -897.630818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.630818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.958117 (E_RNA)
where:
Base-Base interactions energy: -639.744
where: short stacking energy: -248.440
Base-Backbone interact. energy: 1.453
local terms energy: -262.667055
where:
bonds (distance) C4'-P energy: -53.159
bonds (distance) P-C4' energy: -62.489
flat angles C4'-P-C4' energy: -58.498
flat angles P-C4'-P energy: -32.581
tors. eta vs tors. theta energy: -55.941
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: 10, replica: 1
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -869.577712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.577712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.447087 (E_RNA)
where:
Base-Base interactions energy: -625.270
where: short stacking energy: -243.342
Base-Backbone interact. energy: 0.267
local terms energy: -247.443561
where:
bonds (distance) C4'-P energy: -51.101
bonds (distance) P-C4' energy: -42.610
flat angles C4'-P-C4' energy: -64.250
flat angles P-C4'-P energy: -26.196
tors. eta vs tors. theta energy: -63.286
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: 1, replica: 9
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1244.669514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.669514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.840823 (E_RNA)
where:
Base-Base interactions energy: -869.740
where: short stacking energy: -364.071
Base-Backbone interact. energy: -2.770
local terms energy: -373.330745
where:
bonds (distance) C4'-P energy: -68.240
bonds (distance) P-C4' energy: -73.059
flat angles C4'-P-C4' energy: -72.277
flat angles P-C4'-P energy: -52.981
tors. eta vs tors. theta energy: -106.774
Dist. restrs. and SS energy: 1.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1192.393114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.393114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.033693 (E_RNA)
where:
Base-Base interactions energy: -821.144
where: short stacking energy: -345.058
Base-Backbone interact. energy: -1.702
local terms energy: -374.187904
where:
bonds (distance) C4'-P energy: -67.521
bonds (distance) P-C4' energy: -73.625
flat angles C4'-P-C4' energy: -76.257
flat angles P-C4'-P energy: -56.843
tors. eta vs tors. theta energy: -99.941
Dist. restrs. and SS energy: 4.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1178.595945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.595945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.610405 (E_RNA)
where:
Base-Base interactions energy: -810.622
where: short stacking energy: -320.812
Base-Backbone interact. energy: -3.003
local terms energy: -368.985288
where:
bonds (distance) C4'-P energy: -70.783
bonds (distance) P-C4' energy: -70.445
flat angles C4'-P-C4' energy: -79.761
flat angles P-C4'-P energy: -55.497
tors. eta vs tors. theta energy: -92.500
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: 4, replica: 6
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1153.594189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.594189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.873942 (E_RNA)
where:
Base-Base interactions energy: -796.940
where: short stacking energy: -328.729
Base-Backbone interact. energy: -0.198
local terms energy: -359.736493
where:
bonds (distance) C4'-P energy: -64.471
bonds (distance) P-C4' energy: -65.193
flat angles C4'-P-C4' energy: -77.866
flat angles P-C4'-P energy: -47.422
tors. eta vs tors. theta energy: -104.785
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: 5, replica: 3
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1018.338650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.338650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.885573 (E_RNA)
where:
Base-Base interactions energy: -747.371
where: short stacking energy: -297.751
Base-Backbone interact. energy: -0.066
local terms energy: -273.448250
where:
bonds (distance) C4'-P energy: -44.863
bonds (distance) P-C4' energy: -57.838
flat angles C4'-P-C4' energy: -66.739
flat angles P-C4'-P energy: -43.125
tors. eta vs tors. theta energy: -60.883
Dist. restrs. and SS energy: 2.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1065.830157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.830157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.995252 (E_RNA)
where:
Base-Base interactions energy: -743.497
where: short stacking energy: -310.011
Base-Backbone interact. energy: -1.100
local terms energy: -322.398133
where:
bonds (distance) C4'-P energy: -61.510
bonds (distance) P-C4' energy: -60.102
flat angles C4'-P-C4' energy: -64.768
flat angles P-C4'-P energy: -51.387
tors. eta vs tors. theta energy: -84.632
Dist. restrs. and SS energy: 1.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -987.790192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.790192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.516007 (E_RNA)
where:
Base-Base interactions energy: -693.308
where: short stacking energy: -275.853
Base-Backbone interact. energy: -1.730
local terms energy: -294.477978
where:
bonds (distance) C4'-P energy: -58.496
bonds (distance) P-C4' energy: -57.249
flat angles C4'-P-C4' energy: -71.313
flat angles P-C4'-P energy: -36.314
tors. eta vs tors. theta energy: -71.106
Dist. restrs. and SS energy: 1.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -930.746601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.746601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.571265 (E_RNA)
where:
Base-Base interactions energy: -648.005
where: short stacking energy: -254.883
Base-Backbone interact. energy: -1.669
local terms energy: -281.896924
where:
bonds (distance) C4'-P energy: -51.897
bonds (distance) P-C4' energy: -70.829
flat angles C4'-P-C4' energy: -61.178
flat angles P-C4'-P energy: -38.523
tors. eta vs tors. theta energy: -59.470
Dist. restrs. and SS energy: 0.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -906.632166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.632166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.960144 (E_RNA)
where:
Base-Base interactions energy: -641.004
where: short stacking energy: -257.798
Base-Backbone interact. energy: 2.422
local terms energy: -275.378001
where:
bonds (distance) C4'-P energy: -62.482
bonds (distance) P-C4' energy: -53.246
flat angles C4'-P-C4' energy: -53.782
flat angles P-C4'-P energy: -40.738
tors. eta vs tors. theta energy: -65.131
Dist. restrs. and SS energy: 7.328 (S_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: 176
Temperature: 1.350000
Total energy: -838.240851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.240851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.048348 (E_RNA)
where:
Base-Base interactions energy: -601.038
where: short stacking energy: -235.077
Base-Backbone interact. energy: -0.935
local terms energy: -242.075365
where:
bonds (distance) C4'-P energy: -50.608
bonds (distance) P-C4' energy: -52.441
flat angles C4'-P-C4' energy: -54.536
flat angles P-C4'-P energy: -32.950
tors. eta vs tors. theta energy: -51.540
Dist. restrs. and SS energy: 5.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1261.309401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.309401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.398592 (E_RNA)
where:
Base-Base interactions energy: -883.702
where: short stacking energy: -346.416
Base-Backbone interact. energy: -3.318
local terms energy: -377.378192
where:
bonds (distance) C4'-P energy: -72.544
bonds (distance) P-C4' energy: -67.882
flat angles C4'-P-C4' energy: -77.981
flat angles P-C4'-P energy: -58.162
tors. eta vs tors. theta energy: -100.810
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: 2, replica: 10
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1191.357872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.357872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.948145 (E_RNA)
where:
Base-Base interactions energy: -815.134
where: short stacking energy: -347.226
Base-Backbone interact. energy: -2.059
local terms energy: -376.754326
where:
bonds (distance) C4'-P energy: -66.866
bonds (distance) P-C4' energy: -68.959
flat angles C4'-P-C4' energy: -83.246
flat angles P-C4'-P energy: -59.169
tors. eta vs tors. theta energy: -98.515
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: 8
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1171.738540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.738540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.962602 (E_RNA)
where:
Base-Base interactions energy: -826.359
where: short stacking energy: -346.062
Base-Backbone interact. energy: -1.618
local terms energy: -347.984927
where:
bonds (distance) C4'-P energy: -60.973
bonds (distance) P-C4' energy: -75.187
flat angles C4'-P-C4' energy: -72.089
flat angles P-C4'-P energy: -46.349
tors. eta vs tors. theta energy: -93.387
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: 4, replica: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1145.599053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.599053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.332261 (E_RNA)
where:
Base-Base interactions energy: -811.312
where: short stacking energy: -335.093
Base-Backbone interact. energy: -0.950
local terms energy: -336.070278
where:
bonds (distance) C4'-P energy: -62.405
bonds (distance) P-C4' energy: -63.115
flat angles C4'-P-C4' energy: -70.687
flat angles P-C4'-P energy: -49.040
tors. eta vs tors. theta energy: -90.824
Dist. restrs. and SS energy: 2.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1018.349746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.349746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.320426 (E_RNA)
where:
Base-Base interactions energy: -705.858
where: short stacking energy: -261.841
Base-Backbone interact. energy: -5.304
local terms energy: -310.157940
where:
bonds (distance) C4'-P energy: -64.823
bonds (distance) P-C4' energy: -63.234
flat angles C4'-P-C4' energy: -66.642
flat angles P-C4'-P energy: -49.147
tors. eta vs tors. theta energy: -66.312
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: 6, replica: 7
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1071.921865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.921865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.293927 (E_RNA)
where:
Base-Base interactions energy: -764.889
where: short stacking energy: -318.152
Base-Backbone interact. energy: -1.546
local terms energy: -306.859419
where:
bonds (distance) C4'-P energy: -52.548
bonds (distance) P-C4' energy: -63.715
flat angles C4'-P-C4' energy: -69.913
flat angles P-C4'-P energy: -39.138
tors. eta vs tors. theta energy: -81.545
Dist. restrs. and SS energy: 1.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -986.926329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.926329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.064812 (E_RNA)
where:
Base-Base interactions energy: -676.252
where: short stacking energy: -292.558
Base-Backbone interact. energy: -0.699
local terms energy: -313.113684
where:
bonds (distance) C4'-P energy: -64.459
bonds (distance) P-C4' energy: -53.697
flat angles C4'-P-C4' energy: -71.432
flat angles P-C4'-P energy: -39.227
tors. eta vs tors. theta energy: -84.299
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: 8, replica: 2
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -981.062465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.062465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.804686 (E_RNA)
where:
Base-Base interactions energy: -685.532
where: short stacking energy: -292.000
Base-Backbone interact. energy: 0.428
local terms energy: -298.701339
where:
bonds (distance) C4'-P energy: -52.518
bonds (distance) P-C4' energy: -67.248
flat angles C4'-P-C4' energy: -62.872
flat angles P-C4'-P energy: -41.347
tors. eta vs tors. theta energy: -74.717
Dist. restrs. and SS energy: 2.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -881.041456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.041456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.694452 (E_RNA)
where:
Base-Base interactions energy: -609.619
where: short stacking energy: -236.331
Base-Backbone interact. energy: -0.744
local terms energy: -273.330867
where:
bonds (distance) C4'-P energy: -54.296
bonds (distance) P-C4' energy: -61.025
flat angles C4'-P-C4' energy: -58.877
flat angles P-C4'-P energy: -40.505
tors. eta vs tors. theta energy: -58.628
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: 10, replica: 1
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -881.472469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.472469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.936322 (E_RNA)
where:
Base-Base interactions energy: -610.220
where: short stacking energy: -241.541
Base-Backbone interact. energy: -0.445
local terms energy: -276.271279
where:
bonds (distance) C4'-P energy: -57.020
bonds (distance) P-C4' energy: -59.953
flat angles C4'-P-C4' energy: -52.213
flat angles P-C4'-P energy: -50.303
tors. eta vs tors. theta energy: -56.782
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: 1, replica: 9
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1260.373509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.373509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.193734 (E_RNA)
where:
Base-Base interactions energy: -880.226
where: short stacking energy: -370.653
Base-Backbone interact. energy: -2.563
local terms energy: -379.404661
where:
bonds (distance) C4'-P energy: -73.238
bonds (distance) P-C4' energy: -67.396
flat angles C4'-P-C4' energy: -75.753
flat angles P-C4'-P energy: -57.583
tors. eta vs tors. theta energy: -105.434
Dist. restrs. and SS energy: 1.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1158.944474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.944474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.083460 (E_RNA)
where:
Base-Base interactions energy: -796.521
where: short stacking energy: -322.352
Base-Backbone interact. energy: -0.307
local terms energy: -366.254988
where:
bonds (distance) C4'-P energy: -75.640
bonds (distance) P-C4' energy: -72.909
flat angles C4'-P-C4' energy: -76.502
flat angles P-C4'-P energy: -60.135
tors. eta vs tors. theta energy: -81.069
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: 3, replica: 6
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1166.174383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.174383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.393105 (E_RNA)
where:
Base-Base interactions energy: -824.118
where: short stacking energy: -355.205
Base-Backbone interact. energy: -1.871
local terms energy: -343.404276
where:
bonds (distance) C4'-P energy: -55.143
bonds (distance) P-C4' energy: -62.073
flat angles C4'-P-C4' energy: -85.489
flat angles P-C4'-P energy: -52.127
tors. eta vs tors. theta energy: -88.571
Dist. restrs. and SS energy: 3.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1152.996856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.996856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.258989 (E_RNA)
where:
Base-Base interactions energy: -806.510
where: short stacking energy: -324.829
Base-Backbone interact. energy: -1.602
local terms energy: -349.147958
where:
bonds (distance) C4'-P energy: -64.179
bonds (distance) P-C4' energy: -65.528
flat angles C4'-P-C4' energy: -66.603
flat angles P-C4'-P energy: -49.511
tors. eta vs tors. theta energy: -103.327
Dist. restrs. and SS energy: 4.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1091.583558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.583558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.794711 (E_RNA)
where:
Base-Base interactions energy: -760.758
where: short stacking energy: -313.676
Base-Backbone interact. energy: -2.615
local terms energy: -330.421558
where:
bonds (distance) C4'-P energy: -57.825
bonds (distance) P-C4' energy: -63.944
flat angles C4'-P-C4' energy: -74.183
flat angles P-C4'-P energy: -45.043
tors. eta vs tors. theta energy: -89.426
Dist. restrs. and SS energy: 2.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1016.572602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.572602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.501623 (E_RNA)
where:
Base-Base interactions energy: -702.400
where: short stacking energy: -294.335
Base-Backbone interact. energy: -0.809
local terms energy: -320.292593
where:
bonds (distance) C4'-P energy: -74.666
bonds (distance) P-C4' energy: -54.555
flat angles C4'-P-C4' energy: -76.740
flat angles P-C4'-P energy: -40.897
tors. eta vs tors. theta energy: -73.436
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: 7, replica: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1003.185029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.185029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.864583 (E_RNA)
where:
Base-Base interactions energy: -724.746
where: short stacking energy: -288.331
Base-Backbone interact. energy: 3.037
local terms energy: -287.155201
where:
bonds (distance) C4'-P energy: -54.311
bonds (distance) P-C4' energy: -57.775
flat angles C4'-P-C4' energy: -65.361
flat angles P-C4'-P energy: -43.218
tors. eta vs tors. theta energy: -66.490
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: 8, replica: 2
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -963.674475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.674475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.038364 (E_RNA)
where:
Base-Base interactions energy: -683.310
where: short stacking energy: -281.380
Base-Backbone interact. energy: -0.999
local terms energy: -280.728890
where:
bonds (distance) C4'-P energy: -53.780
bonds (distance) P-C4' energy: -55.062
flat angles C4'-P-C4' energy: -59.258
flat angles P-C4'-P energy: -36.360
tors. eta vs tors. theta energy: -76.268
Dist. restrs. and SS energy: 1.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -950.879828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.879828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.195788 (E_RNA)
where:
Base-Base interactions energy: -668.485
where: short stacking energy: -264.580
Base-Backbone interact. energy: -0.763
local terms energy: -285.948102
where:
bonds (distance) C4'-P energy: -58.321
bonds (distance) P-C4' energy: -60.089
flat angles C4'-P-C4' energy: -58.803
flat angles P-C4'-P energy: -33.734
tors. eta vs tors. theta energy: -75.001
Dist. restrs. and SS energy: 4.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -869.078326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.078326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.012558 (E_RNA)
where:
Base-Base interactions energy: -620.015
where: short stacking energy: -231.591
Base-Backbone interact. energy: -0.389
local terms energy: -253.609225
where:
bonds (distance) C4'-P energy: -47.058
bonds (distance) P-C4' energy: -46.620
flat angles C4'-P-C4' energy: -66.944
flat angles P-C4'-P energy: -38.470
tors. eta vs tors. theta energy: -54.517
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: 1, replica: 9
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1259.747588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.747588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.749106 (E_RNA)
where:
Base-Base interactions energy: -894.759
where: short stacking energy: -356.837
Base-Backbone interact. energy: -3.990
local terms energy: -364.000234
where:
bonds (distance) C4'-P energy: -69.308
bonds (distance) P-C4' energy: -68.223
flat angles C4'-P-C4' energy: -79.620
flat angles P-C4'-P energy: -48.875
tors. eta vs tors. theta energy: -97.974
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: 2, replica: 6
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1173.839710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.839710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.236828 (E_RNA)
where:
Base-Base interactions energy: -801.227
where: short stacking energy: -334.490
Base-Backbone interact. energy: -1.925
local terms energy: -373.084212
where:
bonds (distance) C4'-P energy: -67.744
bonds (distance) P-C4' energy: -77.807
flat angles C4'-P-C4' energy: -76.729
flat angles P-C4'-P energy: -55.727
tors. eta vs tors. theta energy: -95.077
Dist. restrs. and SS energy: 2.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1154.896947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.896947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.563204 (E_RNA)
where:
Base-Base interactions energy: -797.291
where: short stacking energy: -332.673
Base-Backbone interact. energy: -1.646
local terms energy: -358.626042
where:
bonds (distance) C4'-P energy: -61.361
bonds (distance) P-C4' energy: -72.629
flat angles C4'-P-C4' energy: -72.394
flat angles P-C4'-P energy: -49.975
tors. eta vs tors. theta energy: -102.268
Dist. restrs. and SS energy: 2.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1121.769173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.769173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.594129 (E_RNA)
where:
Base-Base interactions energy: -779.821
where: short stacking energy: -319.605
Base-Backbone interact. energy: -1.852
local terms energy: -346.921393
where:
bonds (distance) C4'-P energy: -64.660
bonds (distance) P-C4' energy: -60.964
flat angles C4'-P-C4' energy: -77.096
flat angles P-C4'-P energy: -54.491
tors. eta vs tors. theta energy: -89.710
Dist. restrs. and SS energy: 6.825 (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: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1084.806544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.806544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.599118 (E_RNA)
where:
Base-Base interactions energy: -782.288
where: short stacking energy: -326.807
Base-Backbone interact. energy: -2.867
local terms energy: -301.444488
where:
bonds (distance) C4'-P energy: -48.099
bonds (distance) P-C4' energy: -63.280
flat angles C4'-P-C4' energy: -61.444
flat angles P-C4'-P energy: -38.686
tors. eta vs tors. theta energy: -89.936
Dist. restrs. and SS energy: 1.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1003.239797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.239797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.151636 (E_RNA)
where:
Base-Base interactions energy: -680.206
where: short stacking energy: -270.266
Base-Backbone interact. energy: -2.007
local terms energy: -323.938737
where:
bonds (distance) C4'-P energy: -59.112
bonds (distance) P-C4' energy: -74.073
flat angles C4'-P-C4' energy: -81.411
flat angles P-C4'-P energy: -33.802
tors. eta vs tors. theta energy: -75.541
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: 7, replica: 3
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -995.151721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.151721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.132110 (E_RNA)
where:
Base-Base interactions energy: -687.566
where: short stacking energy: -271.361
Base-Backbone interact. energy: -1.725
local terms energy: -309.842001
where:
bonds (distance) C4'-P energy: -65.280
bonds (distance) P-C4' energy: -61.403
flat angles C4'-P-C4' energy: -64.039
flat angles P-C4'-P energy: -41.108
tors. eta vs tors. theta energy: -78.012
Dist. restrs. and SS energy: 3.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -944.794341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.794341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.596376 (E_RNA)
where:
Base-Base interactions energy: -665.850
where: short stacking energy: -274.151
Base-Backbone interact. energy: -1.402
local terms energy: -281.343887
where:
bonds (distance) C4'-P energy: -48.363
bonds (distance) P-C4' energy: -68.202
flat angles C4'-P-C4' energy: -55.628
flat angles P-C4'-P energy: -44.226
tors. eta vs tors. theta energy: -64.926
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: 9, replica: 2
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -904.751086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.751086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.693077 (E_RNA)
where:
Base-Base interactions energy: -631.471
where: short stacking energy: -249.070
Base-Backbone interact. energy: -0.668
local terms energy: -275.554076
where:
bonds (distance) C4'-P energy: -63.708
bonds (distance) P-C4' energy: -50.736
flat angles C4'-P-C4' energy: -53.116
flat angles P-C4'-P energy: -49.717
tors. eta vs tors. theta energy: -58.277
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: 10, replica: 5
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -857.209079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.209079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.861905 (E_RNA)
where:
Base-Base interactions energy: -600.817
where: short stacking energy: -214.826
Base-Backbone interact. energy: -2.240
local terms energy: -255.803989
where:
bonds (distance) C4'-P energy: -56.731
bonds (distance) P-C4' energy: -54.353
flat angles C4'-P-C4' energy: -64.978
flat angles P-C4'-P energy: -33.729
tors. eta vs tors. theta energy: -46.012
Dist. restrs. and SS energy: 1.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1266.148072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.148072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.117167 (E_RNA)
where:
Base-Base interactions energy: -888.534
where: short stacking energy: -359.814
Base-Backbone interact. energy: -0.973
local terms energy: -381.609517
where:
bonds (distance) C4'-P energy: -66.355
bonds (distance) P-C4' energy: -72.332
flat angles C4'-P-C4' energy: -75.746
flat angles P-C4'-P energy: -65.236
tors. eta vs tors. theta energy: -101.940
Dist. restrs. and SS energy: 4.969 (S_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: 180
Temperature: 0.950000
Total energy: -1174.845936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.845936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.338140 (E_RNA)
where:
Base-Base interactions energy: -820.196
where: short stacking energy: -356.600
Base-Backbone interact. energy: -3.625
local terms energy: -355.516889
where:
bonds (distance) C4'-P energy: -66.562
bonds (distance) P-C4' energy: -62.762
flat angles C4'-P-C4' energy: -73.702
flat angles P-C4'-P energy: -56.560
tors. eta vs tors. theta energy: -95.931
Dist. restrs. and SS energy: 4.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1156.171293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.171293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.845500 (E_RNA)
where:
Base-Base interactions energy: -808.338
where: short stacking energy: -337.282
Base-Backbone interact. energy: -1.029
local terms energy: -351.477857
where:
bonds (distance) C4'-P energy: -73.590
bonds (distance) P-C4' energy: -62.166
flat angles C4'-P-C4' energy: -71.386
flat angles P-C4'-P energy: -51.028
tors. eta vs tors. theta energy: -93.308
Dist. restrs. and SS energy: 4.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1151.902158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.902158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.555685 (E_RNA)
where:
Base-Base interactions energy: -823.440
where: short stacking energy: -330.306
Base-Backbone interact. energy: 1.695
local terms energy: -334.810715
where:
bonds (distance) C4'-P energy: -57.171
bonds (distance) P-C4' energy: -65.627
flat angles C4'-P-C4' energy: -73.230
flat angles P-C4'-P energy: -42.138
tors. eta vs tors. theta energy: -96.645
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: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1047.819540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.819540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.089821 (E_RNA)
where:
Base-Base interactions energy: -721.821
where: short stacking energy: -295.511
Base-Backbone interact. energy: -3.862
local terms energy: -323.406792
where:
bonds (distance) C4'-P energy: -66.648
bonds (distance) P-C4' energy: -66.364
flat angles C4'-P-C4' energy: -68.924
flat angles P-C4'-P energy: -50.338
tors. eta vs tors. theta energy: -71.133
Dist. restrs. and SS energy: 1.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1015.121663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.121663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.760371 (E_RNA)
where:
Base-Base interactions energy: -698.388
where: short stacking energy: -292.291
Base-Backbone interact. energy: 0.101
local terms energy: -321.474280
where:
bonds (distance) C4'-P energy: -52.803
bonds (distance) P-C4' energy: -62.814
flat angles C4'-P-C4' energy: -71.397
flat angles P-C4'-P energy: -50.136
tors. eta vs tors. theta energy: -84.325
Dist. restrs. and SS energy: 4.639 (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: 1
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -959.964617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.964617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.820327 (E_RNA)
where:
Base-Base interactions energy: -677.319
where: short stacking energy: -273.668
Base-Backbone interact. energy: 1.432
local terms energy: -286.932677
where:
bonds (distance) C4'-P energy: -41.625
bonds (distance) P-C4' energy: -49.403
flat angles C4'-P-C4' energy: -70.925
flat angles P-C4'-P energy: -49.675
tors. eta vs tors. theta energy: -75.303
Dist. restrs. and SS energy: 2.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -939.898582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.898582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.589518 (E_RNA)
where:
Base-Base interactions energy: -685.157
where: short stacking energy: -254.838
Base-Backbone interact. energy: 2.793
local terms energy: -261.225244
where:
bonds (distance) C4'-P energy: -54.632
bonds (distance) P-C4' energy: -53.822
flat angles C4'-P-C4' energy: -52.514
flat angles P-C4'-P energy: -39.648
tors. eta vs tors. theta energy: -60.609
Dist. restrs. and SS energy: 3.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -905.305711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.305711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.863994 (E_RNA)
where:
Base-Base interactions energy: -624.373
where: short stacking energy: -241.351
Base-Backbone interact. energy: -0.550
local terms energy: -282.941441
where:
bonds (distance) C4'-P energy: -50.086
bonds (distance) P-C4' energy: -57.045
flat angles C4'-P-C4' energy: -69.670
flat angles P-C4'-P energy: -31.397
tors. eta vs tors. theta energy: -74.744
Dist. restrs. and SS energy: 2.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -886.201916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.201916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.583936 (E_RNA)
where:
Base-Base interactions energy: -629.590
where: short stacking energy: -234.660
Base-Backbone interact. energy: 0.402
local terms energy: -259.395542
where:
bonds (distance) C4'-P energy: -58.833
bonds (distance) P-C4' energy: -46.504
flat angles C4'-P-C4' energy: -69.668
flat angles P-C4'-P energy: -38.744
tors. eta vs tors. theta energy: -45.647
Dist. restrs. and SS energy: 2.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1251.181702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.181702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.407112 (E_RNA)
where:
Base-Base interactions energy: -885.390
where: short stacking energy: -353.385
Base-Backbone interact. energy: -2.844
local terms energy: -368.173206
where:
bonds (distance) C4'-P energy: -63.955
bonds (distance) P-C4' energy: -73.746
flat angles C4'-P-C4' energy: -80.439
flat angles P-C4'-P energy: -51.864
tors. eta vs tors. theta energy: -98.170
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: 2, replica: 10
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1161.450463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.450463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.778552 (E_RNA)
where:
Base-Base interactions energy: -801.057
where: short stacking energy: -334.229
Base-Backbone interact. energy: -1.502
local terms energy: -361.219055
where:
bonds (distance) C4'-P energy: -79.484
bonds (distance) P-C4' energy: -57.700
flat angles C4'-P-C4' energy: -80.872
flat angles P-C4'-P energy: -55.402
tors. eta vs tors. theta energy: -87.761
Dist. restrs. and SS energy: 2.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1158.347625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.347625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.283602 (E_RNA)
where:
Base-Base interactions energy: -831.928
where: short stacking energy: -348.719
Base-Backbone interact. energy: 4.359
local terms energy: -334.714542
where:
bonds (distance) C4'-P energy: -55.956
bonds (distance) P-C4' energy: -67.574
flat angles C4'-P-C4' energy: -70.103
flat angles P-C4'-P energy: -49.470
tors. eta vs tors. theta energy: -91.612
Dist. restrs. and SS energy: 3.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1167.820736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.820736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.712391 (E_RNA)
where:
Base-Base interactions energy: -838.129
where: short stacking energy: -330.078
Base-Backbone interact. energy: 1.147
local terms energy: -333.730669
where:
bonds (distance) C4'-P energy: -65.924
bonds (distance) P-C4' energy: -59.043
flat angles C4'-P-C4' energy: -79.268
flat angles P-C4'-P energy: -39.169
tors. eta vs tors. theta energy: -90.326
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: 5, replica: 7
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1037.261481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.261481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.992385 (E_RNA)
where:
Base-Base interactions energy: -709.303
where: short stacking energy: -280.130
Base-Backbone interact. energy: -3.794
local terms energy: -327.895345
where:
bonds (distance) C4'-P energy: -66.597
bonds (distance) P-C4' energy: -65.587
flat angles C4'-P-C4' energy: -71.796
flat angles P-C4'-P energy: -57.182
tors. eta vs tors. theta energy: -66.733
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: 6, replica: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1014.462821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.462821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.461130 (E_RNA)
where:
Base-Base interactions energy: -709.665
where: short stacking energy: -281.673
Base-Backbone interact. energy: -1.208
local terms energy: -312.587674
where:
bonds (distance) C4'-P energy: -55.642
bonds (distance) P-C4' energy: -64.638
flat angles C4'-P-C4' energy: -69.825
flat angles P-C4'-P energy: -48.447
tors. eta vs tors. theta energy: -74.036
Dist. restrs. and SS energy: 8.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -963.615961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.615961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.944434 (E_RNA)
where:
Base-Base interactions energy: -691.350
where: short stacking energy: -279.959
Base-Backbone interact. energy: 1.318
local terms energy: -283.911905
where:
bonds (distance) C4'-P energy: -53.830
bonds (distance) P-C4' energy: -64.184
flat angles C4'-P-C4' energy: -59.961
flat angles P-C4'-P energy: -37.975
tors. eta vs tors. theta energy: -67.962
Dist. restrs. and SS energy: 10.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -935.272803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.272803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.141592 (E_RNA)
where:
Base-Base interactions energy: -648.539
where: short stacking energy: -250.224
Base-Backbone interact. energy: 2.891
local terms energy: -293.493798
where:
bonds (distance) C4'-P energy: -65.214
bonds (distance) P-C4' energy: -60.835
flat angles C4'-P-C4' energy: -61.207
flat angles P-C4'-P energy: -49.460
tors. eta vs tors. theta energy: -56.777
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: 9, replica: 3
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -955.788071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.788071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.844658 (E_RNA)
where:
Base-Base interactions energy: -686.575
where: short stacking energy: -271.381
Base-Backbone interact. energy: -1.412
local terms energy: -273.857211
where:
bonds (distance) C4'-P energy: -43.639
bonds (distance) P-C4' energy: -61.039
flat angles C4'-P-C4' energy: -66.537
flat angles P-C4'-P energy: -33.072
tors. eta vs tors. theta energy: -69.570
Dist. restrs. and SS energy: 6.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -908.727690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.727690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.809058 (E_RNA)
where:
Base-Base interactions energy: -635.802
where: short stacking energy: -224.031
Base-Backbone interact. energy: -0.645
local terms energy: -273.362176
where:
bonds (distance) C4'-P energy: -58.431
bonds (distance) P-C4' energy: -61.773
flat angles C4'-P-C4' energy: -51.230
flat angles P-C4'-P energy: -45.599
tors. eta vs tors. theta energy: -56.330
Dist. restrs. and SS energy: 1.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1257.986682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.986682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.383991 (E_RNA)
where:
Base-Base interactions energy: -896.955
where: short stacking energy: -362.221
Base-Backbone interact. energy: -1.448
local terms energy: -364.980211
where:
bonds (distance) C4'-P energy: -65.698
bonds (distance) P-C4' energy: -70.510
flat angles C4'-P-C4' energy: -66.251
flat angles P-C4'-P energy: -56.349
tors. eta vs tors. theta energy: -106.172
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: 2, replica: 10
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1206.547436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.547436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.591629 (E_RNA)
where:
Base-Base interactions energy: -827.262
where: short stacking energy: -332.657
Base-Backbone interact. energy: -3.562
local terms energy: -378.767305
where:
bonds (distance) C4'-P energy: -63.316
bonds (distance) P-C4' energy: -80.775
flat angles C4'-P-C4' energy: -81.060
flat angles P-C4'-P energy: -60.522
tors. eta vs tors. theta energy: -93.094
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: 3, replica: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1163.019918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.019918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.482667 (E_RNA)
where:
Base-Base interactions energy: -813.581
where: short stacking energy: -353.111
Base-Backbone interact. energy: -2.688
local terms energy: -350.214093
where:
bonds (distance) C4'-P energy: -65.320
bonds (distance) P-C4' energy: -66.283
flat angles C4'-P-C4' energy: -67.274
flat angles P-C4'-P energy: -54.278
tors. eta vs tors. theta energy: -97.059
Dist. restrs. and SS energy: 3.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1138.720664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.720664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.626941 (E_RNA)
where:
Base-Base interactions energy: -788.050
where: short stacking energy: -323.374
Base-Backbone interact. energy: 1.312
local terms energy: -355.889432
where:
bonds (distance) C4'-P energy: -63.742
bonds (distance) P-C4' energy: -74.265
flat angles C4'-P-C4' energy: -74.059
flat angles P-C4'-P energy: -55.639
tors. eta vs tors. theta energy: -88.185
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: 5, replica: 7
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1043.555205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.555205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.038028 (E_RNA)
where:
Base-Base interactions energy: -728.922
where: short stacking energy: -283.713
Base-Backbone interact. energy: -0.309
local terms energy: -314.806461
where:
bonds (distance) C4'-P energy: -55.628
bonds (distance) P-C4' energy: -75.812
flat angles C4'-P-C4' energy: -69.897
flat angles P-C4'-P energy: -38.229
tors. eta vs tors. theta energy: -75.240
Dist. restrs. and SS energy: 0.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1017.017237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.017237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.634894 (E_RNA)
where:
Base-Base interactions energy: -710.299
where: short stacking energy: -270.006
Base-Backbone interact. energy: 3.531
local terms energy: -310.866653
where:
bonds (distance) C4'-P energy: -67.869
bonds (distance) P-C4' energy: -60.519
flat angles C4'-P-C4' energy: -68.991
flat angles P-C4'-P energy: -41.320
tors. eta vs tors. theta energy: -72.167
Dist. restrs. and SS energy: 0.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -961.719694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.719694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.193293 (E_RNA)
where:
Base-Base interactions energy: -652.991
where: short stacking energy: -246.760
Base-Backbone interact. energy: -3.311
local terms energy: -307.891106
where:
bonds (distance) C4'-P energy: -62.254
bonds (distance) P-C4' energy: -66.449
flat angles C4'-P-C4' energy: -64.159
flat angles P-C4'-P energy: -46.308
tors. eta vs tors. theta energy: -68.721
Dist. restrs. and SS energy: 2.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -932.177294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.177294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.772889 (E_RNA)
where:
Base-Base interactions energy: -654.782
where: short stacking energy: -273.321
Base-Backbone interact. energy: -0.809
local terms energy: -284.181360
where:
bonds (distance) C4'-P energy: -54.873
bonds (distance) P-C4' energy: -54.956
flat angles C4'-P-C4' energy: -64.488
flat angles P-C4'-P energy: -41.573
tors. eta vs tors. theta energy: -68.291
Dist. restrs. and SS energy: 7.596 (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: 3
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -922.307512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.307512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.413665 (E_RNA)
where:
Base-Base interactions energy: -639.395
where: short stacking energy: -246.624
Base-Backbone interact. energy: -1.116
local terms energy: -287.902578
where:
bonds (distance) C4'-P energy: -57.787
bonds (distance) P-C4' energy: -51.883
flat angles C4'-P-C4' energy: -69.904
flat angles P-C4'-P energy: -49.488
tors. eta vs tors. theta energy: -58.840
Dist. restrs. and SS energy: 6.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -871.817577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.817577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.542655 (E_RNA)
where:
Base-Base interactions energy: -612.138
where: short stacking energy: -246.320
Base-Backbone interact. energy: -4.207
local terms energy: -268.197402
where:
bonds (distance) C4'-P energy: -36.809
bonds (distance) P-C4' energy: -63.789
flat angles C4'-P-C4' energy: -61.060
flat angles P-C4'-P energy: -46.068
tors. eta vs tors. theta energy: -60.471
Dist. restrs. and SS energy: 12.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1264.057465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.057465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.587652 (E_RNA)
where:
Base-Base interactions energy: -877.439
where: short stacking energy: -350.297
Base-Backbone interact. energy: -1.992
local terms energy: -390.155996
where:
bonds (distance) C4'-P energy: -77.234
bonds (distance) P-C4' energy: -73.030
flat angles C4'-P-C4' energy: -80.321
flat angles P-C4'-P energy: -49.010
tors. eta vs tors. theta energy: -110.562
Dist. restrs. and SS energy: 5.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1213.733165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.733165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.856301 (E_RNA)
where:
Base-Base interactions energy: -835.990
where: short stacking energy: -330.235
Base-Backbone interact. energy: -2.460
local terms energy: -379.406769
where:
bonds (distance) C4'-P energy: -73.026
bonds (distance) P-C4' energy: -71.036
flat angles C4'-P-C4' energy: -82.006
flat angles P-C4'-P energy: -57.361
tors. eta vs tors. theta energy: -95.978
Dist. restrs. and SS energy: 4.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1168.911457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.911457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.962170 (E_RNA)
where:
Base-Base interactions energy: -819.021
where: short stacking energy: -321.052
Base-Backbone interact. energy: -1.932
local terms energy: -351.009210
where:
bonds (distance) C4'-P energy: -57.812
bonds (distance) P-C4' energy: -80.894
flat angles C4'-P-C4' energy: -67.854
flat angles P-C4'-P energy: -51.001
tors. eta vs tors. theta energy: -93.448
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: 8
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1135.187868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.187868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.756463 (E_RNA)
where:
Base-Base interactions energy: -785.031
where: short stacking energy: -319.889
Base-Backbone interact. energy: -0.232
local terms energy: -353.493421
where:
bonds (distance) C4'-P energy: -66.789
bonds (distance) P-C4' energy: -76.064
flat angles C4'-P-C4' energy: -66.360
flat angles P-C4'-P energy: -45.030
tors. eta vs tors. theta energy: -99.250
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: 5, replica: 7
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1051.976315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.976315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.116750 (E_RNA)
where:
Base-Base interactions energy: -733.902
where: short stacking energy: -288.176
Base-Backbone interact. energy: 2.235
local terms energy: -321.449924
where:
bonds (distance) C4'-P energy: -67.901
bonds (distance) P-C4' energy: -77.971
flat angles C4'-P-C4' energy: -66.733
flat angles P-C4'-P energy: -37.678
tors. eta vs tors. theta energy: -71.166
Dist. restrs. and SS energy: 1.140 (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: 4
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -992.041194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.041194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.950975 (E_RNA)
where:
Base-Base interactions energy: -689.105
where: short stacking energy: -278.253
Base-Backbone interact. energy: -0.726
local terms energy: -307.120067
where:
bonds (distance) C4'-P energy: -60.348
bonds (distance) P-C4' energy: -57.586
flat angles C4'-P-C4' energy: -67.565
flat angles P-C4'-P energy: -45.755
tors. eta vs tors. theta energy: -75.865
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: 7, replica: 1
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -947.075929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.075929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.810216 (E_RNA)
where:
Base-Base interactions energy: -637.289
where: short stacking energy: -255.095
Base-Backbone interact. energy: -1.258
local terms energy: -313.263235
where:
bonds (distance) C4'-P energy: -53.533
bonds (distance) P-C4' energy: -70.536
flat angles C4'-P-C4' energy: -74.188
flat angles P-C4'-P energy: -53.766
tors. eta vs tors. theta energy: -61.240
Dist. restrs. and SS energy: 4.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -961.174303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.174303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.713502 (E_RNA)
where:
Base-Base interactions energy: -687.200
where: short stacking energy: -266.457
Base-Backbone interact. energy: 0.880
local terms energy: -283.393881
where:
bonds (distance) C4'-P energy: -63.447
bonds (distance) P-C4' energy: -64.202
flat angles C4'-P-C4' energy: -52.156
flat angles P-C4'-P energy: -39.818
tors. eta vs tors. theta energy: -63.771
Dist. restrs. and SS energy: 8.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -915.552818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.552818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.458294 (E_RNA)
where:
Base-Base interactions energy: -634.550
where: short stacking energy: -264.299
Base-Backbone interact. energy: -1.476
local terms energy: -284.432451
where:
bonds (distance) C4'-P energy: -49.742
bonds (distance) P-C4' energy: -63.882
flat angles C4'-P-C4' energy: -72.783
flat angles P-C4'-P energy: -34.238
tors. eta vs tors. theta energy: -63.787
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: 10, replica: 2
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -899.327707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.327707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.301020 (E_RNA)
where:
Base-Base interactions energy: -633.025
where: short stacking energy: -245.833
Base-Backbone interact. energy: -0.906
local terms energy: -274.369888
where:
bonds (distance) C4'-P energy: -65.201
bonds (distance) P-C4' energy: -59.780
flat angles C4'-P-C4' energy: -54.941
flat angles P-C4'-P energy: -35.339
tors. eta vs tors. theta energy: -59.109
Dist. restrs. and SS energy: 8.973 (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: 9
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1229.882698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.882698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.001661 (E_RNA)
where:
Base-Base interactions energy: -856.908
where: short stacking energy: -359.009
Base-Backbone interact. energy: -1.480
local terms energy: -379.614167
where:
bonds (distance) C4'-P energy: -61.400
bonds (distance) P-C4' energy: -76.026
flat angles C4'-P-C4' energy: -81.970
flat angles P-C4'-P energy: -55.563
tors. eta vs tors. theta energy: -104.656
Dist. restrs. and SS energy: 8.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1195.436198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.436198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.657515 (E_RNA)
where:
Base-Base interactions energy: -852.806
where: short stacking energy: -346.345
Base-Backbone interact. energy: -0.625
local terms energy: -346.226162
where:
bonds (distance) C4'-P energy: -65.666
bonds (distance) P-C4' energy: -64.247
flat angles C4'-P-C4' energy: -77.260
flat angles P-C4'-P energy: -45.433
tors. eta vs tors. theta energy: -93.620
Dist. restrs. and SS energy: 4.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1183.069954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.069954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.171335 (E_RNA)
where:
Base-Base interactions energy: -830.977
where: short stacking energy: -340.024
Base-Backbone interact. energy: -1.310
local terms energy: -353.884347
where:
bonds (distance) C4'-P energy: -64.306
bonds (distance) P-C4' energy: -66.929
flat angles C4'-P-C4' energy: -76.154
flat angles P-C4'-P energy: -53.787
tors. eta vs tors. theta energy: -92.708
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: 184
Temperature: 1.050000
Total energy: -1162.093251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.093251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.674677 (E_RNA)
where:
Base-Base interactions energy: -821.480
where: short stacking energy: -349.199
Base-Backbone interact. energy: -1.710
local terms energy: -342.484557
where:
bonds (distance) C4'-P energy: -56.593
bonds (distance) P-C4' energy: -54.031
flat angles C4'-P-C4' energy: -69.690
flat angles P-C4'-P energy: -57.633
tors. eta vs tors. theta energy: -104.537
Dist. restrs. and SS energy: 3.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1073.642682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.642682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.925017 (E_RNA)
where:
Base-Base interactions energy: -750.076
where: short stacking energy: -325.969
Base-Backbone interact. energy: -3.014
local terms energy: -327.835650
where:
bonds (distance) C4'-P energy: -45.549
bonds (distance) P-C4' energy: -60.042
flat angles C4'-P-C4' energy: -78.709
flat angles P-C4'-P energy: -53.666
tors. eta vs tors. theta energy: -89.869
Dist. restrs. and SS energy: 7.282 (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: 7
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -996.865100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.865100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.563017 (E_RNA)
where:
Base-Base interactions energy: -697.202
where: short stacking energy: -289.996
Base-Backbone interact. energy: 1.788
local terms energy: -305.148558
where:
bonds (distance) C4'-P energy: -62.270
bonds (distance) P-C4' energy: -60.336
flat angles C4'-P-C4' energy: -65.141
flat angles P-C4'-P energy: -46.508
tors. eta vs tors. theta energy: -70.894
Dist. restrs. and SS energy: 3.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -987.371762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.371762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.044290 (E_RNA)
where:
Base-Base interactions energy: -696.882
where: short stacking energy: -280.301
Base-Backbone interact. energy: -2.039
local terms energy: -292.122735
where:
bonds (distance) C4'-P energy: -54.714
bonds (distance) P-C4' energy: -69.238
flat angles C4'-P-C4' energy: -60.057
flat angles P-C4'-P energy: -47.084
tors. eta vs tors. theta energy: -61.028
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: 8, replica: 1
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -939.164756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.164756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.627642 (E_RNA)
where:
Base-Base interactions energy: -667.759
where: short stacking energy: -267.636
Base-Backbone interact. energy: 1.594
local terms energy: -275.462045
where:
bonds (distance) C4'-P energy: -61.371
bonds (distance) P-C4' energy: -59.442
flat angles C4'-P-C4' energy: -52.804
flat angles P-C4'-P energy: -36.430
tors. eta vs tors. theta energy: -65.415
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: 9, replica: 2
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -927.361772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.361772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.748898 (E_RNA)
where:
Base-Base interactions energy: -656.350
where: short stacking energy: -263.578
Base-Backbone interact. energy: -1.571
local terms energy: -273.827821
where:
bonds (distance) C4'-P energy: -59.501
bonds (distance) P-C4' energy: -64.910
flat angles C4'-P-C4' energy: -59.616
flat angles P-C4'-P energy: -31.432
tors. eta vs tors. theta energy: -58.368
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: 10, replica: 5
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -889.235121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.235121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.540461 (E_RNA)
where:
Base-Base interactions energy: -627.516
where: short stacking energy: -264.989
Base-Backbone interact. energy: -0.608
local terms energy: -264.417017
where:
bonds (distance) C4'-P energy: -50.772
bonds (distance) P-C4' energy: -54.428
flat angles C4'-P-C4' energy: -69.406
flat angles P-C4'-P energy: -31.884
tors. eta vs tors. theta energy: -57.927
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: 1, replica: 9
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1254.169733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.169733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.420314 (E_RNA)
where:
Base-Base interactions energy: -874.085
where: short stacking energy: -370.859
Base-Backbone interact. energy: -3.364
local terms energy: -382.971355
where:
bonds (distance) C4'-P energy: -65.743
bonds (distance) P-C4' energy: -64.072
flat angles C4'-P-C4' energy: -83.753
flat angles P-C4'-P energy: -55.460
tors. eta vs tors. theta energy: -113.943
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: 2, replica: 10
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1187.992704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.992704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.852801 (E_RNA)
where:
Base-Base interactions energy: -842.443
where: short stacking energy: -340.280
Base-Backbone interact. energy: -4.826
local terms energy: -342.584404
where:
bonds (distance) C4'-P energy: -56.309
bonds (distance) P-C4' energy: -71.330
flat angles C4'-P-C4' energy: -75.031
flat angles P-C4'-P energy: -48.934
tors. eta vs tors. theta energy: -90.981
Dist. restrs. and SS energy: 1.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1163.634630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.634630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.340355 (E_RNA)
where:
Base-Base interactions energy: -802.507
where: short stacking energy: -343.408
Base-Backbone interact. energy: -1.557
local terms energy: -363.275953
where:
bonds (distance) C4'-P energy: -66.467
bonds (distance) P-C4' energy: -61.333
flat angles C4'-P-C4' energy: -80.106
flat angles P-C4'-P energy: -60.529
tors. eta vs tors. theta energy: -94.840
Dist. restrs. and SS energy: 3.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1149.930092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.930092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.510455 (E_RNA)
where:
Base-Base interactions energy: -806.424
where: short stacking energy: -339.941
Base-Backbone interact. energy: -0.054
local terms energy: -348.032925
where:
bonds (distance) C4'-P energy: -69.854
bonds (distance) P-C4' energy: -61.172
flat angles C4'-P-C4' energy: -68.272
flat angles P-C4'-P energy: -46.587
tors. eta vs tors. theta energy: -102.148
Dist. restrs. and SS energy: 4.580 (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: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1069.349877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.349877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.235428 (E_RNA)
where:
Base-Base interactions energy: -729.104
where: short stacking energy: -303.803
Base-Backbone interact. energy: -2.205
local terms energy: -344.926632
where:
bonds (distance) C4'-P energy: -66.508
bonds (distance) P-C4' energy: -60.522
flat angles C4'-P-C4' energy: -74.588
flat angles P-C4'-P energy: -54.247
tors. eta vs tors. theta energy: -89.061
Dist. restrs. and SS energy: 6.886 (S_DIST_RNA)
chem. 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: -1018.415203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.415203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.638624 (E_RNA)
where:
Base-Base interactions energy: -684.759
where: short stacking energy: -291.289
Base-Backbone interact. energy: -2.195
local terms energy: -337.685133
where:
bonds (distance) C4'-P energy: -65.224
bonds (distance) P-C4' energy: -71.751
flat angles C4'-P-C4' energy: -66.348
flat angles P-C4'-P energy: -50.802
tors. eta vs tors. theta energy: -83.560
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: 7, replica: 7
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1006.195292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.195292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.191262 (E_RNA)
where:
Base-Base interactions energy: -722.706
where: short stacking energy: -283.271
Base-Backbone interact. energy: 0.715
local terms energy: -288.200553
where:
bonds (distance) C4'-P energy: -49.551
bonds (distance) P-C4' energy: -65.812
flat angles C4'-P-C4' energy: -56.490
flat angles P-C4'-P energy: -41.349
tors. eta vs tors. theta energy: -74.999
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: 8, replica: 1
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -937.112887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.112887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.276084 (E_RNA)
where:
Base-Base interactions energy: -641.565
where: short stacking energy: -245.109
Base-Backbone interact. energy: -2.615
local terms energy: -294.096517
where:
bonds (distance) C4'-P energy: -58.163
bonds (distance) P-C4' energy: -59.018
flat angles C4'-P-C4' energy: -65.289
flat angles P-C4'-P energy: -40.210
tors. eta vs tors. theta energy: -71.416
Dist. restrs. and SS energy: 1.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -922.538504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.538504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.258512 (E_RNA)
where:
Base-Base interactions energy: -632.899
where: short stacking energy: -279.464
Base-Backbone interact. energy: -1.055
local terms energy: -299.303820
where:
bonds (distance) C4'-P energy: -63.209
bonds (distance) P-C4' energy: -61.714
flat angles C4'-P-C4' energy: -71.835
flat angles P-C4'-P energy: -29.017
tors. eta vs tors. theta energy: -73.530
Dist. restrs. and SS energy: 10.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -860.065487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.065487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.125783 (E_RNA)
where:
Base-Base interactions energy: -609.830
where: short stacking energy: -262.565
Base-Backbone interact. energy: -1.793
local terms energy: -260.503036
where:
bonds (distance) C4'-P energy: -53.719
bonds (distance) P-C4' energy: -55.728
flat angles C4'-P-C4' energy: -66.620
flat angles P-C4'-P energy: -23.131
tors. eta vs tors. theta energy: -61.305
Dist. restrs. and SS energy: 12.060 (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: 9
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1274.681165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.681165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.482886 (E_RNA)
where:
Base-Base interactions energy: -902.357
where: short stacking energy: -378.755
Base-Backbone interact. energy: -2.063
local terms energy: -376.062931
where:
bonds (distance) C4'-P energy: -79.724
bonds (distance) P-C4' energy: -66.192
flat angles C4'-P-C4' energy: -78.036
flat angles P-C4'-P energy: -48.250
tors. eta vs tors. theta energy: -103.860
Dist. restrs. and SS energy: 5.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1215.813492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.813492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.514414 (E_RNA)
where:
Base-Base interactions energy: -859.850
where: short stacking energy: -337.924
Base-Backbone interact. energy: -3.390
local terms energy: -356.273733
where:
bonds (distance) C4'-P energy: -68.411
bonds (distance) P-C4' energy: -71.931
flat angles C4'-P-C4' energy: -77.665
flat angles P-C4'-P energy: -45.977
tors. eta vs tors. theta energy: -92.290
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: 3, replica: 8
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1197.141544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.141544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.793490 (E_RNA)
where:
Base-Base interactions energy: -839.617
where: short stacking energy: -369.430
Base-Backbone interact. energy: -0.370
local terms energy: -359.805691
where:
bonds (distance) C4'-P energy: -59.394
bonds (distance) P-C4' energy: -71.473
flat angles C4'-P-C4' energy: -78.838
flat angles P-C4'-P energy: -58.291
tors. eta vs tors. theta energy: -91.809
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: 4, replica: 6
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1139.226546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.226546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.047087 (E_RNA)
where:
Base-Base interactions energy: -799.868
where: short stacking energy: -316.822
Base-Backbone interact. energy: -1.310
local terms energy: -340.869014
where:
bonds (distance) C4'-P energy: -67.953
bonds (distance) P-C4' energy: -66.040
flat angles C4'-P-C4' energy: -76.046
flat angles P-C4'-P energy: -45.899
tors. eta vs tors. theta energy: -84.931
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: 5, replica: 4
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1050.512731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.512731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.251752 (E_RNA)
where:
Base-Base interactions energy: -720.338
where: short stacking energy: -308.014
Base-Backbone interact. energy: 0.250
local terms energy: -337.163238
where:
bonds (distance) C4'-P energy: -66.045
bonds (distance) P-C4' energy: -59.898
flat angles C4'-P-C4' energy: -72.805
flat angles P-C4'-P energy: -50.398
tors. eta vs tors. theta energy: -88.018
Dist. restrs. and SS energy: 6.739 (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: 3
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1007.691569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.691569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.372361 (E_RNA)
where:
Base-Base interactions energy: -688.345
where: short stacking energy: -289.102
Base-Backbone interact. energy: -1.266
local terms energy: -328.761548
where:
bonds (distance) C4'-P energy: -51.778
bonds (distance) P-C4' energy: -69.688
flat angles C4'-P-C4' energy: -76.323
flat angles P-C4'-P energy: -48.020
tors. eta vs tors. theta energy: -82.953
Dist. restrs. and SS energy: 10.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -970.658664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.658664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.611316 (E_RNA)
where:
Base-Base interactions energy: -685.959
where: short stacking energy: -273.530
Base-Backbone interact. energy: -1.262
local terms energy: -286.390675
where:
bonds (distance) C4'-P energy: -63.910
bonds (distance) P-C4' energy: -50.268
flat angles C4'-P-C4' energy: -64.668
flat angles P-C4'-P energy: -32.416
tors. eta vs tors. theta energy: -75.128
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: 8, replica: 7
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -975.211207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.211207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.046903 (E_RNA)
where:
Base-Base interactions energy: -677.776
where: short stacking energy: -274.683
Base-Backbone interact. energy: -1.465
local terms energy: -301.805908
where:
bonds (distance) C4'-P energy: -60.420
bonds (distance) P-C4' energy: -55.812
flat angles C4'-P-C4' energy: -61.242
flat angles P-C4'-P energy: -49.570
tors. eta vs tors. theta energy: -74.762
Dist. restrs. and SS energy: 5.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -944.808108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.808108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.843147 (E_RNA)
where:
Base-Base interactions energy: -668.003
where: short stacking energy: -259.905
Base-Backbone interact. energy: -3.734
local terms energy: -274.106396
where:
bonds (distance) C4'-P energy: -47.258
bonds (distance) P-C4' energy: -60.351
flat angles C4'-P-C4' energy: -55.802
flat angles P-C4'-P energy: -42.328
tors. eta vs tors. theta energy: -68.368
Dist. restrs. and SS energy: 1.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -868.000753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.000753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.086143 (E_RNA)
where:
Base-Base interactions energy: -609.102
where: short stacking energy: -246.346
Base-Backbone interact. energy: -0.365
local terms energy: -271.619310
where:
bonds (distance) C4'-P energy: -57.921
bonds (distance) P-C4' energy: -59.174
flat angles C4'-P-C4' energy: -63.952
flat angles P-C4'-P energy: -34.936
tors. eta vs tors. theta energy: -55.636
Dist. restrs. and SS energy: 13.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1268.499468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.499468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.478132 (E_RNA)
where:
Base-Base interactions energy: -886.594
where: short stacking energy: -370.176
Base-Backbone interact. energy: 0.573
local terms energy: -388.456898
where:
bonds (distance) C4'-P energy: -73.089
bonds (distance) P-C4' energy: -66.323
flat angles C4'-P-C4' energy: -88.230
flat angles P-C4'-P energy: -53.460
tors. eta vs tors. theta energy: -107.355
Dist. restrs. and SS energy: 5.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1187.110891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.110891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.900146 (E_RNA)
where:
Base-Base interactions energy: -836.571
where: short stacking energy: -339.274
Base-Backbone interact. energy: -4.306
local terms energy: -349.022874
where:
bonds (distance) C4'-P energy: -67.573
bonds (distance) P-C4' energy: -72.593
flat angles C4'-P-C4' energy: -66.684
flat angles P-C4'-P energy: -52.682
tors. eta vs tors. theta energy: -89.492
Dist. restrs. and SS energy: 2.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1198.014436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.014436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.890431 (E_RNA)
where:
Base-Base interactions energy: -852.544
where: short stacking energy: -357.545
Base-Backbone interact. energy: -2.066
local terms energy: -349.280213
where:
bonds (distance) C4'-P energy: -54.351
bonds (distance) P-C4' energy: -65.405
flat angles C4'-P-C4' energy: -76.638
flat angles P-C4'-P energy: -44.739
tors. eta vs tors. theta energy: -108.148
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: 4, replica: 6
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1126.634420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.634420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.363419 (E_RNA)
where:
Base-Base interactions energy: -770.617
where: short stacking energy: -312.401
Base-Backbone interact. energy: -2.640
local terms energy: -356.106814
where:
bonds (distance) C4'-P energy: -72.056
bonds (distance) P-C4' energy: -65.162
flat angles C4'-P-C4' energy: -74.991
flat angles P-C4'-P energy: -48.759
tors. eta vs tors. theta energy: -95.138
Dist. restrs. and SS energy: 2.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1051.796316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.796316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.853547 (E_RNA)
where:
Base-Base interactions energy: -743.653
where: short stacking energy: -312.260
Base-Backbone interact. energy: -1.228
local terms energy: -316.972201
where:
bonds (distance) C4'-P energy: -60.625
bonds (distance) P-C4' energy: -67.278
flat angles C4'-P-C4' energy: -74.144
flat angles P-C4'-P energy: -34.073
tors. eta vs tors. theta energy: -80.853
Dist. restrs. and SS energy: 10.057 (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: 1
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1022.779000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.779000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.670025 (E_RNA)
where:
Base-Base interactions energy: -719.949
where: short stacking energy: -291.925
Base-Backbone interact. energy: -2.579
local terms energy: -305.141809
where:
bonds (distance) C4'-P energy: -61.655
bonds (distance) P-C4' energy: -59.146
flat angles C4'-P-C4' energy: -62.096
flat angles P-C4'-P energy: -46.878
tors. eta vs tors. theta energy: -75.368
Dist. restrs. and SS energy: 4.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1004.043493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.043493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.865877 (E_RNA)
where:
Base-Base interactions energy: -702.219
where: short stacking energy: -272.392
Base-Backbone interact. energy: -1.191
local terms energy: -303.455625
where:
bonds (distance) C4'-P energy: -61.898
bonds (distance) P-C4' energy: -62.213
flat angles C4'-P-C4' energy: -65.061
flat angles P-C4'-P energy: -40.162
tors. eta vs tors. theta energy: -74.122
Dist. restrs. and SS energy: 2.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -942.976518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.976518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.058030 (E_RNA)
where:
Base-Base interactions energy: -650.182
where: short stacking energy: -254.240
Base-Backbone interact. energy: -1.956
local terms energy: -301.920039
where:
bonds (distance) C4'-P energy: -58.909
bonds (distance) P-C4' energy: -67.885
flat angles C4'-P-C4' energy: -60.631
flat angles P-C4'-P energy: -40.318
tors. eta vs tors. theta energy: -74.178
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: 9, replica: 2
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -968.016680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.016680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.178445 (E_RNA)
where:
Base-Base interactions energy: -679.397
where: short stacking energy: -246.370
Base-Backbone interact. energy: 5.250
local terms energy: -295.031553
where:
bonds (distance) C4'-P energy: -68.755
bonds (distance) P-C4' energy: -54.229
flat angles C4'-P-C4' energy: -59.323
flat angles P-C4'-P energy: -51.250
tors. eta vs tors. theta energy: -61.475
Dist. restrs. and SS energy: 1.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -877.331923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.331923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.615416 (E_RNA)
where:
Base-Base interactions energy: -611.347
where: short stacking energy: -241.341
Base-Backbone interact. energy: -2.534
local terms energy: -268.734687
where:
bonds (distance) C4'-P energy: -56.081
bonds (distance) P-C4' energy: -46.389
flat angles C4'-P-C4' energy: -70.148
flat angles P-C4'-P energy: -34.059
tors. eta vs tors. theta energy: -62.056
Dist. restrs. and SS energy: 5.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1271.011162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.011162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.297999 (E_RNA)
where:
Base-Base interactions energy: -895.553
where: short stacking energy: -373.183
Base-Backbone interact. energy: -2.016
local terms energy: -378.728874
where:
bonds (distance) C4'-P energy: -65.634
bonds (distance) P-C4' energy: -77.302
flat angles C4'-P-C4' energy: -77.589
flat angles P-C4'-P energy: -52.888
tors. eta vs tors. theta energy: -105.316
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: 2, replica: 10
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1216.301929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.301929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.910118 (E_RNA)
where:
Base-Base interactions energy: -846.700
where: short stacking energy: -362.491
Base-Backbone interact. energy: -0.298
local terms energy: -372.911726
where:
bonds (distance) C4'-P energy: -67.166
bonds (distance) P-C4' energy: -66.375
flat angles C4'-P-C4' energy: -79.231
flat angles P-C4'-P energy: -56.852
tors. eta vs tors. theta energy: -103.287
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: 3, replica: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1183.450723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.450723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.130436 (E_RNA)
where:
Base-Base interactions energy: -827.624
where: short stacking energy: -354.938
Base-Backbone interact. energy: -2.498
local terms energy: -358.007525
where:
bonds (distance) C4'-P energy: -68.755
bonds (distance) P-C4' energy: -59.174
flat angles C4'-P-C4' energy: -76.319
flat angles P-C4'-P energy: -55.658
tors. eta vs tors. theta energy: -98.102
Dist. restrs. and SS energy: 4.680 (S_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: 188
Temperature: 1.050000
Total energy: -1115.171123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.171123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.208449 (E_RNA)
where:
Base-Base interactions energy: -766.537
where: short stacking energy: -317.748
Base-Backbone interact. energy: -0.821
local terms energy: -348.850209
where:
bonds (distance) C4'-P energy: -60.708
bonds (distance) P-C4' energy: -71.439
flat angles C4'-P-C4' energy: -79.192
flat angles P-C4'-P energy: -47.953
tors. eta vs tors. theta energy: -89.558
Dist. restrs. and SS energy: 1.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1098.118535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.118535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.893132 (E_RNA)
where:
Base-Base interactions energy: -780.449
where: short stacking energy: -316.009
Base-Backbone interact. energy: -2.185
local terms energy: -320.258495
where:
bonds (distance) C4'-P energy: -61.856
bonds (distance) P-C4' energy: -53.910
flat angles C4'-P-C4' energy: -66.806
flat angles P-C4'-P energy: -47.592
tors. eta vs tors. theta energy: -90.094
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: 6, replica: 1
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1050.734887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.734887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.163987 (E_RNA)
where:
Base-Base interactions energy: -739.458
where: short stacking energy: -290.258
Base-Backbone interact. energy: 1.789
local terms energy: -317.494261
where:
bonds (distance) C4'-P energy: -58.150
bonds (distance) P-C4' energy: -62.283
flat angles C4'-P-C4' energy: -71.086
flat angles P-C4'-P energy: -49.640
tors. eta vs tors. theta energy: -76.335
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: 7, replica: 3
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -981.942541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.942541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.408897 (E_RNA)
where:
Base-Base interactions energy: -699.550
where: short stacking energy: -291.132
Base-Backbone interact. energy: -1.509
local terms energy: -291.349595
where:
bonds (distance) C4'-P energy: -50.043
bonds (distance) P-C4' energy: -71.359
flat angles C4'-P-C4' energy: -60.292
flat angles P-C4'-P energy: -30.154
tors. eta vs tors. theta energy: -79.503
Dist. restrs. and SS energy: 10.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -946.190862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.190862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.617500 (E_RNA)
where:
Base-Base interactions energy: -660.779
where: short stacking energy: -248.399
Base-Backbone interact. energy: -2.690
local terms energy: -287.148439
where:
bonds (distance) C4'-P energy: -52.677
bonds (distance) P-C4' energy: -71.494
flat angles C4'-P-C4' energy: -61.231
flat angles P-C4'-P energy: -36.161
tors. eta vs tors. theta energy: -65.586
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: 9, replica: 2
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -951.385548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.385548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.653160 (E_RNA)
where:
Base-Base interactions energy: -671.592
where: short stacking energy: -268.712
Base-Backbone interact. energy: -0.912
local terms energy: -284.149809
where:
bonds (distance) C4'-P energy: -49.478
bonds (distance) P-C4' energy: -63.927
flat angles C4'-P-C4' energy: -55.884
flat angles P-C4'-P energy: -39.675
tors. eta vs tors. theta energy: -75.185
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: 10, replica: 5
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -884.886048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.886048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.130765 (E_RNA)
where:
Base-Base interactions energy: -643.021
where: short stacking energy: -264.190
Base-Backbone interact. energy: -1.778
local terms energy: -244.331862
where:
bonds (distance) C4'-P energy: -40.972
bonds (distance) P-C4' energy: -65.520
flat angles C4'-P-C4' energy: -47.379
flat angles P-C4'-P energy: -26.307
tors. eta vs tors. theta energy: -64.154
Dist. restrs. and SS energy: 4.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1268.137358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.137358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.221543 (E_RNA)
where:
Base-Base interactions energy: -883.887
where: short stacking energy: -385.339
Base-Backbone interact. energy: -3.996
local terms energy: -384.338483
where:
bonds (distance) C4'-P energy: -72.114
bonds (distance) P-C4' energy: -69.535
flat angles C4'-P-C4' energy: -76.898
flat angles P-C4'-P energy: -56.803
tors. eta vs tors. theta energy: -108.987
Dist. restrs. and SS energy: 4.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1213.257612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.257612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.959594 (E_RNA)
where:
Base-Base interactions energy: -862.512
where: short stacking energy: -356.104
Base-Backbone interact. energy: -4.218
local terms energy: -351.229103
where:
bonds (distance) C4'-P energy: -63.499
bonds (distance) P-C4' energy: -55.652
flat angles C4'-P-C4' energy: -75.895
flat angles P-C4'-P energy: -60.589
tors. eta vs tors. theta energy: -95.594
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: 3, replica: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1185.520398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.520398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.146115 (E_RNA)
where:
Base-Base interactions energy: -823.425
where: short stacking energy: -345.289
Base-Backbone interact. energy: -1.706
local terms energy: -364.015594
where:
bonds (distance) C4'-P energy: -69.188
bonds (distance) P-C4' energy: -70.054
flat angles C4'-P-C4' energy: -77.764
flat angles P-C4'-P energy: -56.641
tors. eta vs tors. theta energy: -90.367
Dist. restrs. and SS energy: 3.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1104.403747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.403747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.238409 (E_RNA)
where:
Base-Base interactions energy: -765.413
where: short stacking energy: -306.680
Base-Backbone interact. energy: -1.327
local terms energy: -342.498301
where:
bonds (distance) C4'-P energy: -55.530
bonds (distance) P-C4' energy: -68.559
flat angles C4'-P-C4' energy: -70.706
flat angles P-C4'-P energy: -55.090
tors. eta vs tors. theta energy: -92.613
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: 5, replica: 6
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1086.362719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.362719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.667083 (E_RNA)
where:
Base-Base interactions energy: -759.718
where: short stacking energy: -316.426
Base-Backbone interact. energy: -1.562
local terms energy: -328.386955
where:
bonds (distance) C4'-P energy: -61.578
bonds (distance) P-C4' energy: -56.777
flat angles C4'-P-C4' energy: -72.322
flat angles P-C4'-P energy: -52.988
tors. eta vs tors. theta energy: -84.722
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: 6, replica: 1
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1042.462259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.462259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.339629 (E_RNA)
where:
Base-Base interactions energy: -714.625
where: short stacking energy: -275.657
Base-Backbone interact. energy: -1.339
local terms energy: -328.376142
where:
bonds (distance) C4'-P energy: -70.019
bonds (distance) P-C4' energy: -62.790
flat angles C4'-P-C4' energy: -72.168
flat angles P-C4'-P energy: -45.287
tors. eta vs tors. theta energy: -78.113
Dist. restrs. and SS energy: 1.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -976.826142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.826142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.335696 (E_RNA)
where:
Base-Base interactions energy: -691.435
where: short stacking energy: -285.598
Base-Backbone interact. energy: 0.298
local terms energy: -289.198922
where:
bonds (distance) C4'-P energy: -52.178
bonds (distance) P-C4' energy: -53.260
flat angles C4'-P-C4' energy: -71.559
flat angles P-C4'-P energy: -32.896
tors. eta vs tors. theta energy: -79.306
Dist. restrs. and SS energy: 3.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1019.921893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.921893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.008240 (E_RNA)
where:
Base-Base interactions energy: -713.443
where: short stacking energy: -290.588
Base-Backbone interact. energy: 0.824
local terms energy: -310.389196
where:
bonds (distance) C4'-P energy: -67.563
bonds (distance) P-C4' energy: -63.115
flat angles C4'-P-C4' energy: -66.041
flat angles P-C4'-P energy: -42.725
tors. eta vs tors. theta energy: -70.946
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: 9, replica: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -945.008408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.008408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.570713 (E_RNA)
where:
Base-Base interactions energy: -679.242
where: short stacking energy: -283.464
Base-Backbone interact. energy: 0.577
local terms energy: -270.905902
where:
bonds (distance) C4'-P energy: -56.222
bonds (distance) P-C4' energy: -51.989
flat angles C4'-P-C4' energy: -54.427
flat angles P-C4'-P energy: -29.878
tors. eta vs tors. theta energy: -78.388
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: 10, replica: 5
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -873.978805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.978805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.812270 (E_RNA)
where:
Base-Base interactions energy: -605.302
where: short stacking energy: -244.287
Base-Backbone interact. energy: -0.308
local terms energy: -279.203057
where:
bonds (distance) C4'-P energy: -53.548
bonds (distance) P-C4' energy: -56.314
flat angles C4'-P-C4' energy: -73.166
flat angles P-C4'-P energy: -46.549
tors. eta vs tors. theta energy: -49.626
Dist. restrs. and SS energy: 10.833 (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: 9
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1252.983148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.983148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.116427 (E_RNA)
where:
Base-Base interactions energy: -876.218
where: short stacking energy: -361.767
Base-Backbone interact. energy: -2.395
local terms energy: -379.502809
where:
bonds (distance) C4'-P energy: -67.010
bonds (distance) P-C4' energy: -68.316
flat angles C4'-P-C4' energy: -78.458
flat angles P-C4'-P energy: -57.556
tors. eta vs tors. theta energy: -108.162
Dist. restrs. and SS energy: 5.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1212.216513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.216513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.814572 (E_RNA)
where:
Base-Base interactions energy: -844.260
where: short stacking energy: -355.972
Base-Backbone interact. energy: -3.352
local terms energy: -369.203007
where:
bonds (distance) C4'-P energy: -72.248
bonds (distance) P-C4' energy: -57.491
flat angles C4'-P-C4' energy: -84.426
flat angles P-C4'-P energy: -53.714
tors. eta vs tors. theta energy: -101.325
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: 3, replica: 10
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1168.938693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.938693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.850980 (E_RNA)
where:
Base-Base interactions energy: -824.478
where: short stacking energy: -338.355
Base-Backbone interact. energy: -2.574
local terms energy: -344.798070
where:
bonds (distance) C4'-P energy: -57.463
bonds (distance) P-C4' energy: -59.752
flat angles C4'-P-C4' energy: -87.183
flat angles P-C4'-P energy: -44.684
tors. eta vs tors. theta energy: -95.715
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: 4, replica: 4
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1108.623574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.623574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.873249 (E_RNA)
where:
Base-Base interactions energy: -760.472
where: short stacking energy: -306.395
Base-Backbone interact. energy: -1.078
local terms energy: -351.323608
where:
bonds (distance) C4'-P energy: -73.738
bonds (distance) P-C4' energy: -73.564
flat angles C4'-P-C4' energy: -65.049
flat angles P-C4'-P energy: -51.372
tors. eta vs tors. theta energy: -87.601
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: 5, replica: 6
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1108.996226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.996226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.685068 (E_RNA)
where:
Base-Base interactions energy: -765.084
where: short stacking energy: -295.101
Base-Backbone interact. energy: -3.183
local terms energy: -343.417446
where:
bonds (distance) C4'-P energy: -70.323
bonds (distance) P-C4' energy: -66.955
flat angles C4'-P-C4' energy: -73.901
flat angles P-C4'-P energy: -49.146
tors. eta vs tors. theta energy: -83.093
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: 6, replica: 1
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1077.989807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.989807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.532306 (E_RNA)
where:
Base-Base interactions energy: -761.680
where: short stacking energy: -299.757
Base-Backbone interact. energy: -2.613
local terms energy: -318.239669
where:
bonds (distance) C4'-P energy: -58.653
bonds (distance) P-C4' energy: -64.535
flat angles C4'-P-C4' energy: -54.408
flat angles P-C4'-P energy: -49.849
tors. eta vs tors. theta energy: -90.794
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: 7, replica: 2
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1011.346374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.346374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.463998 (E_RNA)
where:
Base-Base interactions energy: -716.819
where: short stacking energy: -278.175
Base-Backbone interact. energy: 8.688
local terms energy: -306.332619
where:
bonds (distance) C4'-P energy: -52.673
bonds (distance) P-C4' energy: -70.674
flat angles C4'-P-C4' energy: -64.708
flat angles P-C4'-P energy: -47.798
tors. eta vs tors. theta energy: -70.479
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: 8, replica: 3
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -963.629839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.629839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.247691 (E_RNA)
where:
Base-Base interactions energy: -670.912
where: short stacking energy: -275.817
Base-Backbone interact. energy: -2.887
local terms energy: -293.448431
where:
bonds (distance) C4'-P energy: -58.572
bonds (distance) P-C4' energy: -61.219
flat angles C4'-P-C4' energy: -68.338
flat angles P-C4'-P energy: -31.682
tors. eta vs tors. theta energy: -73.637
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: 9, replica: 7
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -965.654088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.654088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.161897 (E_RNA)
where:
Base-Base interactions energy: -674.218
where: short stacking energy: -270.015
Base-Backbone interact. energy: 1.430
local terms energy: -295.373529
where:
bonds (distance) C4'-P energy: -52.179
bonds (distance) P-C4' energy: -60.884
flat angles C4'-P-C4' energy: -71.914
flat angles P-C4'-P energy: -35.677
tors. eta vs tors. theta energy: -74.720
Dist. restrs. and SS energy: 2.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -869.173951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.173951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.004399 (E_RNA)
where:
Base-Base interactions energy: -606.683
where: short stacking energy: -246.978
Base-Backbone interact. energy: 0.773
local terms energy: -267.094199
where:
bonds (distance) C4'-P energy: -47.069
bonds (distance) P-C4' energy: -67.303
flat angles C4'-P-C4' energy: -53.938
flat angles P-C4'-P energy: -34.938
tors. eta vs tors. theta energy: -63.845
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: 1, replica: 9
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1290.836083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.836083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.602149 (E_RNA)
where:
Base-Base interactions energy: -885.348
where: short stacking energy: -364.456
Base-Backbone interact. energy: -3.174
local terms energy: -406.081051
where:
bonds (distance) C4'-P energy: -72.337
bonds (distance) P-C4' energy: -81.134
flat angles C4'-P-C4' energy: -78.511
flat angles P-C4'-P energy: -63.870
tors. eta vs tors. theta energy: -110.229
Dist. restrs. and SS energy: 3.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1194.838466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.838466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.415849 (E_RNA)
where:
Base-Base interactions energy: -849.222
where: short stacking energy: -334.583
Base-Backbone interact. energy: -1.562
local terms energy: -347.631765
where:
bonds (distance) C4'-P energy: -60.117
bonds (distance) P-C4' energy: -66.108
flat angles C4'-P-C4' energy: -71.951
flat angles P-C4'-P energy: -57.356
tors. eta vs tors. theta energy: -92.099
Dist. restrs. and SS energy: 3.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1178.193166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.193166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.156435 (E_RNA)
where:
Base-Base interactions energy: -832.483
where: short stacking energy: -331.786
Base-Backbone interact. energy: -0.311
local terms energy: -348.362202
where:
bonds (distance) C4'-P energy: -58.277
bonds (distance) P-C4' energy: -70.047
flat angles C4'-P-C4' energy: -76.617
flat angles P-C4'-P energy: -49.093
tors. eta vs tors. theta energy: -94.329
Dist. restrs. and SS energy: 2.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1139.277508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.277508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.474974 (E_RNA)
where:
Base-Base interactions energy: -799.232
where: short stacking energy: -325.638
Base-Backbone interact. energy: -2.957
local terms energy: -341.285882
where:
bonds (distance) C4'-P energy: -67.016
bonds (distance) P-C4' energy: -59.165
flat angles C4'-P-C4' energy: -66.440
flat angles P-C4'-P energy: -48.169
tors. eta vs tors. theta energy: -100.495
Dist. restrs. and SS energy: 4.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1085.844233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.844233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.221297 (E_RNA)
where:
Base-Base interactions energy: -762.892
where: short stacking energy: -317.536
Base-Backbone interact. energy: -1.715
local terms energy: -326.614579
where:
bonds (distance) C4'-P energy: -54.798
bonds (distance) P-C4' energy: -59.035
flat angles C4'-P-C4' energy: -74.137
flat angles P-C4'-P energy: -47.658
tors. eta vs tors. theta energy: -90.987
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: 6, replica: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1064.215641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.215641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.342722 (E_RNA)
where:
Base-Base interactions energy: -743.437
where: short stacking energy: -312.467
Base-Backbone interact. energy: 0.033
local terms energy: -323.938688
where:
bonds (distance) C4'-P energy: -63.214
bonds (distance) P-C4' energy: -63.730
flat angles C4'-P-C4' energy: -69.502
flat angles P-C4'-P energy: -40.965
tors. eta vs tors. theta energy: -86.528
Dist. restrs. and SS energy: 3.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1021.414007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.414007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.982903 (E_RNA)
where:
Base-Base interactions energy: -719.606
where: short stacking energy: -294.234
Base-Backbone interact. energy: -1.156
local terms energy: -304.220813
where:
bonds (distance) C4'-P energy: -59.596
bonds (distance) P-C4' energy: -52.435
flat angles C4'-P-C4' energy: -63.326
flat angles P-C4'-P energy: -45.295
tors. eta vs tors. theta energy: -83.568
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: 3
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -975.018866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.018866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.224645 (E_RNA)
where:
Base-Base interactions energy: -666.749
where: short stacking energy: -260.442
Base-Backbone interact. energy: 0.222
local terms energy: -312.698116
where:
bonds (distance) C4'-P energy: -71.087
bonds (distance) P-C4' energy: -56.241
flat angles C4'-P-C4' energy: -69.366
flat angles P-C4'-P energy: -54.525
tors. eta vs tors. theta energy: -61.478
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: 7
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -952.801549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.801549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.150762 (E_RNA)
where:
Base-Base interactions energy: -662.523
where: short stacking energy: -266.589
Base-Backbone interact. energy: 1.350
local terms energy: -294.978173
where:
bonds (distance) C4'-P energy: -54.530
bonds (distance) P-C4' energy: -58.679
flat angles C4'-P-C4' energy: -72.190
flat angles P-C4'-P energy: -37.092
tors. eta vs tors. theta energy: -72.486
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: 10, replica: 5
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -877.392859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.392859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.799330 (E_RNA)
where:
Base-Base interactions energy: -599.255
where: short stacking energy: -241.858
Base-Backbone interact. energy: -0.846
local terms energy: -281.698291
where:
bonds (distance) C4'-P energy: -62.798
bonds (distance) P-C4' energy: -54.864
flat angles C4'-P-C4' energy: -64.112
flat angles P-C4'-P energy: -37.984
tors. eta vs tors. theta energy: -61.940
Dist. restrs. and SS energy: 4.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1263.721053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.721053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.565239 (E_RNA)
where:
Base-Base interactions energy: -877.685
where: short stacking energy: -377.411
Base-Backbone interact. energy: -0.671
local terms energy: -390.208583
where:
bonds (distance) C4'-P energy: -62.644
bonds (distance) P-C4' energy: -77.882
flat angles C4'-P-C4' energy: -83.191
flat angles P-C4'-P energy: -56.845
tors. eta vs tors. theta energy: -109.646
Dist. restrs. and SS energy: 4.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1209.796053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.796053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.881279 (E_RNA)
where:
Base-Base interactions energy: -855.319
where: short stacking energy: -350.203
Base-Backbone interact. energy: -1.753
local terms energy: -356.808693
where:
bonds (distance) C4'-P energy: -54.939
bonds (distance) P-C4' energy: -68.900
flat angles C4'-P-C4' energy: -76.125
flat angles P-C4'-P energy: -55.080
tors. eta vs tors. theta energy: -101.765
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: 3, replica: 8
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1199.468305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.468305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.753191 (E_RNA)
where:
Base-Base interactions energy: -821.951
where: short stacking energy: -343.332
Base-Backbone interact. energy: -2.128
local terms energy: -380.674185
where:
bonds (distance) C4'-P energy: -66.248
bonds (distance) P-C4' energy: -68.847
flat angles C4'-P-C4' energy: -80.165
flat angles P-C4'-P energy: -62.557
tors. eta vs tors. theta energy: -102.856
Dist. restrs. and SS energy: 5.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1110.492562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.492562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.651218 (E_RNA)
where:
Base-Base interactions energy: -769.808
where: short stacking energy: -315.311
Base-Backbone interact. energy: -2.714
local terms energy: -342.129321
where:
bonds (distance) C4'-P energy: -63.014
bonds (distance) P-C4' energy: -72.793
flat angles C4'-P-C4' energy: -69.081
flat angles P-C4'-P energy: -47.328
tors. eta vs tors. theta energy: -89.914
Dist. restrs. and SS energy: 4.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1059.253638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.253638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.294337 (E_RNA)
where:
Base-Base interactions energy: -754.602
where: short stacking energy: -302.178
Base-Backbone interact. energy: -2.169
local terms energy: -305.523779
where:
bonds (distance) C4'-P energy: -58.728
bonds (distance) P-C4' energy: -65.299
flat angles C4'-P-C4' energy: -63.554
flat angles P-C4'-P energy: -35.865
tors. eta vs tors. theta energy: -82.079
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: 6, replica: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1072.978679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.978679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.075116 (E_RNA)
where:
Base-Base interactions energy: -717.893
where: short stacking energy: -297.406
Base-Backbone interact. energy: -3.408
local terms energy: -354.774477
where:
bonds (distance) C4'-P energy: -72.595
bonds (distance) P-C4' energy: -64.549
flat angles C4'-P-C4' energy: -77.990
flat angles P-C4'-P energy: -53.476
tors. eta vs tors. theta energy: -86.165
Dist. restrs. and SS energy: 3.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -989.918078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.918078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.189215 (E_RNA)
where:
Base-Base interactions energy: -696.419
where: short stacking energy: -286.254
Base-Backbone interact. energy: -3.476
local terms energy: -294.294803
where:
bonds (distance) C4'-P energy: -49.133
bonds (distance) P-C4' energy: -54.123
flat angles C4'-P-C4' energy: -64.757
flat angles P-C4'-P energy: -47.048
tors. eta vs tors. theta energy: -79.235
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: 3
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -973.809517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.809517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.550828 (E_RNA)
where:
Base-Base interactions energy: -690.377
where: short stacking energy: -270.037
Base-Backbone interact. energy: 2.613
local terms energy: -288.787443
where:
bonds (distance) C4'-P energy: -57.584
bonds (distance) P-C4' energy: -59.442
flat angles C4'-P-C4' energy: -65.686
flat angles P-C4'-P energy: -38.438
tors. eta vs tors. theta energy: -67.637
Dist. restrs. and SS energy: 2.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -931.837252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.837252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.961134 (E_RNA)
where:
Base-Base interactions energy: -651.095
where: short stacking energy: -274.065
Base-Backbone interact. energy: 0.313
local terms energy: -289.178629
where:
bonds (distance) C4'-P energy: -52.883
bonds (distance) P-C4' energy: -62.134
flat angles C4'-P-C4' energy: -63.121
flat angles P-C4'-P energy: -32.257
tors. eta vs tors. theta energy: -78.784
Dist. restrs. and SS energy: 8.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -869.615075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.615075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.768910 (E_RNA)
where:
Base-Base interactions energy: -627.590
where: short stacking energy: -262.316
Base-Backbone interact. energy: 2.416
local terms energy: -255.594738
where:
bonds (distance) C4'-P energy: -42.772
bonds (distance) P-C4' energy: -49.652
flat angles C4'-P-C4' energy: -68.138
flat angles P-C4'-P energy: -34.641
tors. eta vs tors. theta energy: -60.392
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: 1, replica: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1271.488682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.488682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.238735 (E_RNA)
where:
Base-Base interactions energy: -885.690
where: short stacking energy: -369.337
Base-Backbone interact. energy: -3.485
local terms energy: -389.063949
where:
bonds (distance) C4'-P energy: -72.452
bonds (distance) P-C4' energy: -71.092
flat angles C4'-P-C4' energy: -75.122
flat angles P-C4'-P energy: -58.769
tors. eta vs tors. theta energy: -111.629
Dist. restrs. and SS energy: 6.750 (S_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: 193
Temperature: 0.950000
Total energy: -1252.240136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.240136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.551735 (E_RNA)
where:
Base-Base interactions energy: -870.836
where: short stacking energy: -369.531
Base-Backbone interact. energy: -1.679
local terms energy: -383.037222
where:
bonds (distance) C4'-P energy: -70.635
bonds (distance) P-C4' energy: -80.460
flat angles C4'-P-C4' energy: -77.129
flat angles P-C4'-P energy: -48.736
tors. eta vs tors. theta energy: -106.077
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: 10
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1164.851874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.851874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.047071 (E_RNA)
where:
Base-Base interactions energy: -834.247
where: short stacking energy: -347.713
Base-Backbone interact. energy: -0.945
local terms energy: -332.855664
where:
bonds (distance) C4'-P energy: -59.427
bonds (distance) P-C4' energy: -50.628
flat angles C4'-P-C4' energy: -78.963
flat angles P-C4'-P energy: -44.156
tors. eta vs tors. theta energy: -99.681
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: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1137.815763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.815763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.300414 (E_RNA)
where:
Base-Base interactions energy: -799.307
where: short stacking energy: -326.178
Base-Backbone interact. energy: 0.014
local terms energy: -339.007554
where:
bonds (distance) C4'-P energy: -63.667
bonds (distance) P-C4' energy: -58.552
flat angles C4'-P-C4' energy: -74.253
flat angles P-C4'-P energy: -56.375
tors. eta vs tors. theta energy: -86.160
Dist. restrs. and SS energy: 0.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1082.663170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.663170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.579000 (E_RNA)
where:
Base-Base interactions energy: -761.697
where: short stacking energy: -285.169
Base-Backbone interact. energy: -2.707
local terms energy: -321.174962
where:
bonds (distance) C4'-P energy: -67.855
bonds (distance) P-C4' energy: -65.480
flat angles C4'-P-C4' energy: -68.478
flat angles P-C4'-P energy: -36.104
tors. eta vs tors. theta energy: -83.258
Dist. restrs. and SS energy: 2.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1057.769773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.769773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.198816 (E_RNA)
where:
Base-Base interactions energy: -728.918
where: short stacking energy: -306.142
Base-Backbone interact. energy: -2.290
local terms energy: -329.990703
where:
bonds (distance) C4'-P energy: -66.254
bonds (distance) P-C4' energy: -58.578
flat angles C4'-P-C4' energy: -65.931
flat angles P-C4'-P energy: -57.674
tors. eta vs tors. theta energy: -81.553
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: 7, replica: 1
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1011.457177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.457177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.043604 (E_RNA)
where:
Base-Base interactions energy: -705.440
where: short stacking energy: -282.109
Base-Backbone interact. energy: -0.923
local terms energy: -309.680733
where:
bonds (distance) C4'-P energy: -50.602
bonds (distance) P-C4' energy: -64.084
flat angles C4'-P-C4' energy: -67.218
flat angles P-C4'-P energy: -47.504
tors. eta vs tors. theta energy: -80.273
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: 3
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -983.945120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.945120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.332022 (E_RNA)
where:
Base-Base interactions energy: -681.897
where: short stacking energy: -279.922
Base-Backbone interact. energy: -0.250
local terms energy: -306.184643
where:
bonds (distance) C4'-P energy: -58.945
bonds (distance) P-C4' energy: -62.461
flat angles C4'-P-C4' energy: -57.603
flat angles P-C4'-P energy: -47.007
tors. eta vs tors. theta energy: -80.169
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: 9, replica: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -938.366431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.366431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.585769 (E_RNA)
where:
Base-Base interactions energy: -642.426
where: short stacking energy: -250.454
Base-Backbone interact. energy: 0.899
local terms energy: -304.059528
where:
bonds (distance) C4'-P energy: -55.287
bonds (distance) P-C4' energy: -57.456
flat angles C4'-P-C4' energy: -79.693
flat angles P-C4'-P energy: -45.432
tors. eta vs tors. theta energy: -66.191
Dist. restrs. and SS energy: 7.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -927.406583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.406583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.970589 (E_RNA)
where:
Base-Base interactions energy: -648.144
where: short stacking energy: -279.190
Base-Backbone interact. energy: -0.474
local terms energy: -293.352215
where:
bonds (distance) C4'-P energy: -60.070
bonds (distance) P-C4' energy: -50.409
flat angles C4'-P-C4' energy: -67.896
flat angles P-C4'-P energy: -31.145
tors. eta vs tors. theta energy: -83.833
Dist. restrs. and SS energy: 14.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1252.739797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.739797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.623745 (E_RNA)
where:
Base-Base interactions energy: -894.287
where: short stacking energy: -369.904
Base-Backbone interact. energy: -3.219
local terms energy: -361.117754
where:
bonds (distance) C4'-P energy: -60.138
bonds (distance) P-C4' energy: -67.993
flat angles C4'-P-C4' energy: -79.812
flat angles P-C4'-P energy: -46.015
tors. eta vs tors. theta energy: -107.160
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: 2, replica: 8
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1232.308155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.308155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.561590 (E_RNA)
where:
Base-Base interactions energy: -858.836
where: short stacking energy: -361.432
Base-Backbone interact. energy: 0.495
local terms energy: -377.220422
where:
bonds (distance) C4'-P energy: -76.847
bonds (distance) P-C4' energy: -62.966
flat angles C4'-P-C4' energy: -78.388
flat angles P-C4'-P energy: -56.373
tors. eta vs tors. theta energy: -102.646
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: 6
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1164.049449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.049449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.502619 (E_RNA)
where:
Base-Base interactions energy: -829.006
where: short stacking energy: -331.944
Base-Backbone interact. energy: -2.065
local terms energy: -333.432041
where:
bonds (distance) C4'-P energy: -59.050
bonds (distance) P-C4' energy: -65.414
flat angles C4'-P-C4' energy: -70.562
flat angles P-C4'-P energy: -52.579
tors. eta vs tors. theta energy: -85.827
Dist. restrs. and SS energy: 0.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1137.660157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.660157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.817100 (E_RNA)
where:
Base-Base interactions energy: -780.925
where: short stacking energy: -311.616
Base-Backbone interact. energy: -2.200
local terms energy: -357.692009
where:
bonds (distance) C4'-P energy: -63.267
bonds (distance) P-C4' energy: -79.032
flat angles C4'-P-C4' energy: -71.488
flat angles P-C4'-P energy: -53.311
tors. eta vs tors. theta energy: -90.595
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: 5, replica: 2
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1075.327382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.327382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.557082 (E_RNA)
where:
Base-Base interactions energy: -735.321
where: short stacking energy: -309.795
Base-Backbone interact. energy: -2.517
local terms energy: -339.719331
where:
bonds (distance) C4'-P energy: -64.906
bonds (distance) P-C4' energy: -63.659
flat angles C4'-P-C4' energy: -78.013
flat angles P-C4'-P energy: -52.475
tors. eta vs tors. theta energy: -80.665
Dist. restrs. and SS energy: 2.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1043.233865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.233865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.941385 (E_RNA)
where:
Base-Base interactions energy: -722.445
where: short stacking energy: -289.874
Base-Backbone interact. energy: 2.674
local terms energy: -327.170680
where:
bonds (distance) C4'-P energy: -62.180
bonds (distance) P-C4' energy: -67.258
flat angles C4'-P-C4' energy: -72.423
flat angles P-C4'-P energy: -49.415
tors. eta vs tors. theta energy: -75.895
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: 7, replica: 3
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -972.634264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.634264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.140470 (E_RNA)
where:
Base-Base interactions energy: -683.473
where: short stacking energy: -282.616
Base-Backbone interact. energy: -1.246
local terms energy: -297.422243
where:
bonds (distance) C4'-P energy: -52.074
bonds (distance) P-C4' energy: -63.990
flat angles C4'-P-C4' energy: -67.785
flat angles P-C4'-P energy: -41.075
tors. eta vs tors. theta energy: -72.499
Dist. restrs. and SS energy: 9.506 (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: 1
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -993.904075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.904075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.642758 (E_RNA)
where:
Base-Base interactions energy: -706.271
where: short stacking energy: -293.100
Base-Backbone interact. energy: -0.085
local terms energy: -291.285801
where:
bonds (distance) C4'-P energy: -59.986
bonds (distance) P-C4' energy: -54.686
flat angles C4'-P-C4' energy: -67.968
flat angles P-C4'-P energy: -34.390
tors. eta vs tors. theta energy: -74.256
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: 9, replica: 7
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -928.474961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.474961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.602669 (E_RNA)
where:
Base-Base interactions energy: -658.457
where: short stacking energy: -272.627
Base-Backbone interact. energy: -0.382
local terms energy: -275.764323
where:
bonds (distance) C4'-P energy: -42.107
bonds (distance) P-C4' energy: -57.558
flat angles C4'-P-C4' energy: -64.788
flat angles P-C4'-P energy: -41.686
tors. eta vs tors. theta energy: -69.626
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: 10, replica: 5
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -884.202031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.202031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.759632 (E_RNA)
where:
Base-Base interactions energy: -619.889
where: short stacking energy: -245.573
Base-Backbone interact. energy: -0.061
local terms energy: -265.809007
where:
bonds (distance) C4'-P energy: -58.927
bonds (distance) P-C4' energy: -47.432
flat angles C4'-P-C4' energy: -56.608
flat angles P-C4'-P energy: -45.179
tors. eta vs tors. theta energy: -57.663
Dist. restrs. and SS energy: 1.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1275.079600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.079600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.932392 (E_RNA)
where:
Base-Base interactions energy: -899.817
where: short stacking energy: -366.033
Base-Backbone interact. energy: -5.270
local terms energy: -375.844685
where:
bonds (distance) C4'-P energy: -75.000
bonds (distance) P-C4' energy: -66.913
flat angles C4'-P-C4' energy: -80.060
flat angles P-C4'-P energy: -51.126
tors. eta vs tors. theta energy: -102.745
Dist. restrs. and SS energy: 5.853 (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: 6
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1201.418805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.418805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.346009 (E_RNA)
where:
Base-Base interactions energy: -838.888
where: short stacking energy: -352.595
Base-Backbone interact. energy: -2.325
local terms energy: -361.132941
where:
bonds (distance) C4'-P energy: -67.145
bonds (distance) P-C4' energy: -67.764
flat angles C4'-P-C4' energy: -75.825
flat angles P-C4'-P energy: -56.991
tors. eta vs tors. theta energy: -93.408
Dist. restrs. and SS energy: 0.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1192.120505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.120505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.397195 (E_RNA)
where:
Base-Base interactions energy: -834.151
where: short stacking energy: -355.963
Base-Backbone interact. energy: -1.655
local terms energy: -359.591471
where:
bonds (distance) C4'-P energy: -58.258
bonds (distance) P-C4' energy: -62.064
flat angles C4'-P-C4' energy: -73.846
flat angles P-C4'-P energy: -55.775
tors. eta vs tors. theta energy: -109.648
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: 10
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1152.209298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.209298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.453554 (E_RNA)
where:
Base-Base interactions energy: -806.747
where: short stacking energy: -322.047
Base-Backbone interact. energy: -0.883
local terms energy: -347.823741
where:
bonds (distance) C4'-P energy: -66.651
bonds (distance) P-C4' energy: -65.558
flat angles C4'-P-C4' energy: -73.808
flat angles P-C4'-P energy: -50.651
tors. eta vs tors. theta energy: -91.155
Dist. restrs. and SS energy: 3.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1069.867271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.867271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.874027 (E_RNA)
where:
Base-Base interactions energy: -760.181
where: short stacking energy: -291.274
Base-Backbone interact. energy: -1.002
local terms energy: -312.691094
where:
bonds (distance) C4'-P energy: -68.338
bonds (distance) P-C4' energy: -64.323
flat angles C4'-P-C4' energy: -57.243
flat angles P-C4'-P energy: -49.232
tors. eta vs tors. theta energy: -73.555
Dist. restrs. and SS energy: 4.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1041.969404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.969404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.223007 (E_RNA)
where:
Base-Base interactions energy: -730.926
where: short stacking energy: -306.794
Base-Backbone interact. energy: -0.023
local terms energy: -315.274408
where:
bonds (distance) C4'-P energy: -54.948
bonds (distance) P-C4' energy: -68.477
flat angles C4'-P-C4' energy: -65.853
flat angles P-C4'-P energy: -49.000
tors. eta vs tors. theta energy: -76.997
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: 7, replica: 3
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -991.366764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.366764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.098427 (E_RNA)
where:
Base-Base interactions energy: -701.640
where: short stacking energy: -279.981
Base-Backbone interact. energy: -2.261
local terms energy: -288.198177
where:
bonds (distance) C4'-P energy: -50.399
bonds (distance) P-C4' energy: -66.333
flat angles C4'-P-C4' energy: -66.829
flat angles P-C4'-P energy: -35.220
tors. eta vs tors. theta energy: -69.417
Dist. restrs. and SS energy: 0.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -977.181372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.181372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.517463 (E_RNA)
where:
Base-Base interactions energy: -675.574
where: short stacking energy: -260.484
Base-Backbone interact. energy: -1.336
local terms energy: -303.607855
where:
bonds (distance) C4'-P energy: -51.151
bonds (distance) P-C4' energy: -73.343
flat angles C4'-P-C4' energy: -71.074
flat angles P-C4'-P energy: -41.027
tors. eta vs tors. theta energy: -67.013
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: 9, replica: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -926.179265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.179265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.783056 (E_RNA)
where:
Base-Base interactions energy: -644.046
where: short stacking energy: -242.471
Base-Backbone interact. energy: -0.999
local terms energy: -285.738943
where:
bonds (distance) C4'-P energy: -46.933
bonds (distance) P-C4' energy: -74.183
flat angles C4'-P-C4' energy: -63.246
flat angles P-C4'-P energy: -39.151
tors. eta vs tors. theta energy: -62.226
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: 5
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -895.389978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.389978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.913427 (E_RNA)
where:
Base-Base interactions energy: -613.458
where: short stacking energy: -241.953
Base-Backbone interact. energy: -3.403
local terms energy: -280.052551
where:
bonds (distance) C4'-P energy: -52.496
bonds (distance) P-C4' energy: -61.482
flat angles C4'-P-C4' energy: -69.242
flat angles P-C4'-P energy: -32.911
tors. eta vs tors. theta energy: -63.921
Dist. restrs. and SS energy: 1.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1255.704437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.704437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.421437 (E_RNA)
where:
Base-Base interactions energy: -868.184
where: short stacking energy: -366.245
Base-Backbone interact. energy: -2.038
local terms energy: -394.199249
where:
bonds (distance) C4'-P energy: -73.288
bonds (distance) P-C4' energy: -70.368
flat angles C4'-P-C4' energy: -85.167
flat angles P-C4'-P energy: -58.432
tors. eta vs tors. theta energy: -106.944
Dist. restrs. and SS energy: 8.717 (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: 6
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1210.960474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.960474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.205390 (E_RNA)
where:
Base-Base interactions energy: -846.300
where: short stacking energy: -360.529
Base-Backbone interact. energy: -2.481
local terms energy: -364.424741
where:
bonds (distance) C4'-P energy: -52.922
bonds (distance) P-C4' energy: -76.397
flat angles C4'-P-C4' energy: -72.697
flat angles P-C4'-P energy: -58.939
tors. eta vs tors. theta energy: -103.470
Dist. restrs. and SS energy: 2.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1185.027492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.027492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.653288 (E_RNA)
where:
Base-Base interactions energy: -843.616
where: short stacking energy: -349.108
Base-Backbone interact. energy: -0.433
local terms energy: -344.604391
where:
bonds (distance) C4'-P energy: -58.253
bonds (distance) P-C4' energy: -61.582
flat angles C4'-P-C4' energy: -76.794
flat angles P-C4'-P energy: -50.309
tors. eta vs tors. theta energy: -97.667
Dist. restrs. and SS energy: 3.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1140.379634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.379634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.617907 (E_RNA)
where:
Base-Base interactions energy: -811.608
where: short stacking energy: -323.151
Base-Backbone interact. energy: -0.044
local terms energy: -331.966105
where:
bonds (distance) C4'-P energy: -60.296
bonds (distance) P-C4' energy: -62.429
flat angles C4'-P-C4' energy: -76.806
flat angles P-C4'-P energy: -44.766
tors. eta vs tors. theta energy: -87.669
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: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1015.718899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.718899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.312562 (E_RNA)
where:
Base-Base interactions energy: -699.470
where: short stacking energy: -295.353
Base-Backbone interact. energy: -2.701
local terms energy: -320.142084
where:
bonds (distance) C4'-P energy: -60.899
bonds (distance) P-C4' energy: -59.719
flat angles C4'-P-C4' energy: -69.110
flat angles P-C4'-P energy: -47.951
tors. eta vs tors. theta energy: -82.463
Dist. restrs. and SS energy: 6.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1025.794908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.794908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.628273 (E_RNA)
where:
Base-Base interactions energy: -717.248
where: short stacking energy: -286.501
Base-Backbone interact. energy: -2.298
local terms energy: -307.082098
where:
bonds (distance) C4'-P energy: -52.782
bonds (distance) P-C4' energy: -47.115
flat angles C4'-P-C4' energy: -74.909
flat angles P-C4'-P energy: -45.723
tors. eta vs tors. theta energy: -86.553
Dist. restrs. and SS energy: 0.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1052.853780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.853780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.177712 (E_RNA)
where:
Base-Base interactions energy: -746.905
where: short stacking energy: -312.695
Base-Backbone interact. energy: -1.453
local terms energy: -307.819775
where:
bonds (distance) C4'-P energy: -63.827
bonds (distance) P-C4' energy: -41.162
flat angles C4'-P-C4' energy: -68.968
flat angles P-C4'-P energy: -46.954
tors. eta vs tors. theta energy: -86.909
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: 8, replica: 3
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -949.970793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.970793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.353693 (E_RNA)
where:
Base-Base interactions energy: -642.475
where: short stacking energy: -238.918
Base-Backbone interact. energy: -1.572
local terms energy: -310.307329
where:
bonds (distance) C4'-P energy: -59.752
bonds (distance) P-C4' energy: -64.092
flat angles C4'-P-C4' energy: -70.007
flat angles P-C4'-P energy: -53.315
tors. eta vs tors. theta energy: -63.142
Dist. restrs. and SS energy: 4.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -926.336841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.336841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.118273 (E_RNA)
where:
Base-Base interactions energy: -630.377
where: short stacking energy: -252.290
Base-Backbone interact. energy: -0.457
local terms energy: -297.283835
where:
bonds (distance) C4'-P energy: -64.955
bonds (distance) P-C4' energy: -63.367
flat angles C4'-P-C4' energy: -68.242
flat angles P-C4'-P energy: -38.651
tors. eta vs tors. theta energy: -62.069
Dist. restrs. and SS energy: 1.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -901.493460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.493460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.058678 (E_RNA)
where:
Base-Base interactions energy: -643.761
where: short stacking energy: -262.621
Base-Backbone interact. energy: 3.376
local terms energy: -263.673723
where:
bonds (distance) C4'-P energy: -38.176
bonds (distance) P-C4' energy: -50.578
flat angles C4'-P-C4' energy: -67.236
flat angles P-C4'-P energy: -39.015
tors. eta vs tors. theta energy: -68.669
Dist. restrs. and SS energy: 2.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1243.811538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.811538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.631812 (E_RNA)
where:
Base-Base interactions energy: -872.512
where: short stacking energy: -353.293
Base-Backbone interact. energy: -0.840
local terms energy: -375.279473
where:
bonds (distance) C4'-P energy: -67.393
bonds (distance) P-C4' energy: -73.468
flat angles C4'-P-C4' energy: -78.118
flat angles P-C4'-P energy: -59.318
tors. eta vs tors. theta energy: -96.983
Dist. restrs. and SS energy: 4.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1212.604693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.604693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.720743 (E_RNA)
where:
Base-Base interactions energy: -839.076
where: short stacking energy: -349.126
Base-Backbone interact. energy: -3.140
local terms energy: -373.504708
where:
bonds (distance) C4'-P energy: -68.662
bonds (distance) P-C4' energy: -65.689
flat angles C4'-P-C4' energy: -80.105
flat angles P-C4'-P energy: -60.162
tors. eta vs tors. theta energy: -98.887
Dist. restrs. and SS energy: 3.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1184.418289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.418289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.649013 (E_RNA)
where:
Base-Base interactions energy: -833.048
where: short stacking energy: -339.040
Base-Backbone interact. energy: -1.671
local terms energy: -353.930285
where:
bonds (distance) C4'-P energy: -58.429
bonds (distance) P-C4' energy: -65.724
flat angles C4'-P-C4' energy: -82.081
flat angles P-C4'-P energy: -51.698
tors. eta vs tors. theta energy: -95.999
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: 4, replica: 10
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1135.192589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.192589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.068913 (E_RNA)
where:
Base-Base interactions energy: -787.899
where: short stacking energy: -330.170
Base-Backbone interact. energy: -0.072
local terms energy: -350.097399
where:
bonds (distance) C4'-P energy: -68.574
bonds (distance) P-C4' energy: -64.492
flat angles C4'-P-C4' energy: -73.381
flat angles P-C4'-P energy: -50.891
tors. eta vs tors. theta energy: -92.760
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: 5, replica: 4
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1044.470858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.470858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.373236 (E_RNA)
where:
Base-Base interactions energy: -720.888
where: short stacking energy: -307.545
Base-Backbone interact. energy: -2.008
local terms energy: -327.477172
where:
bonds (distance) C4'-P energy: -54.215
bonds (distance) P-C4' energy: -66.584
flat angles C4'-P-C4' energy: -71.857
flat angles P-C4'-P energy: -49.846
tors. eta vs tors. theta energy: -84.975
Dist. restrs. and SS energy: 5.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1083.489001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.489001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.499001 (E_RNA)
where:
Base-Base interactions energy: -752.656
where: short stacking energy: -309.363
Base-Backbone interact. energy: -0.795
local terms energy: -334.048118
where:
bonds (distance) C4'-P energy: -66.563
bonds (distance) P-C4' energy: -61.737
flat angles C4'-P-C4' energy: -76.369
flat angles P-C4'-P energy: -42.392
tors. eta vs tors. theta energy: -86.987
Dist. restrs. and SS energy: 4.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1007.088085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.088085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.391518 (E_RNA)
where:
Base-Base interactions energy: -702.879
where: short stacking energy: -276.552
Base-Backbone interact. energy: -2.245
local terms energy: -303.267991
where:
bonds (distance) C4'-P energy: -59.321
bonds (distance) P-C4' energy: -55.579
flat angles C4'-P-C4' energy: -70.923
flat angles P-C4'-P energy: -36.597
tors. eta vs tors. theta energy: -80.848
Dist. restrs. and SS energy: 1.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -953.951580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.951580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.136581 (E_RNA)
where:
Base-Base interactions energy: -689.726
where: short stacking energy: -279.679
Base-Backbone interact. energy: -1.110
local terms energy: -268.300738
where:
bonds (distance) C4'-P energy: -52.341
bonds (distance) P-C4' energy: -57.889
flat angles C4'-P-C4' energy: -57.578
flat angles P-C4'-P energy: -34.031
tors. eta vs tors. theta energy: -66.461
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: 9, replica: 5
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -934.614743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.614743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.923565 (E_RNA)
where:
Base-Base interactions energy: -668.318
where: short stacking energy: -264.274
Base-Backbone interact. energy: -0.658
local terms energy: -267.947091
where:
bonds (distance) C4'-P energy: -45.931
bonds (distance) P-C4' energy: -59.935
flat angles C4'-P-C4' energy: -61.513
flat angles P-C4'-P energy: -32.324
tors. eta vs tors. theta energy: -68.244
Dist. restrs. and SS energy: 2.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -921.240578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.240578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.374433 (E_RNA)
where:
Base-Base interactions energy: -656.543
where: short stacking energy: -237.936
Base-Backbone interact. energy: -0.821
local terms energy: -268.010161
where:
bonds (distance) C4'-P energy: -54.729
bonds (distance) P-C4' energy: -59.322
flat angles C4'-P-C4' energy: -60.498
flat angles P-C4'-P energy: -42.861
tors. eta vs tors. theta energy: -50.601
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: 1, replica: 9
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1247.899051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.899051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.124139 (E_RNA)
where:
Base-Base interactions energy: -872.719
where: short stacking energy: -354.273
Base-Backbone interact. energy: -2.395
local terms energy: -377.010057
where:
bonds (distance) C4'-P energy: -75.610
bonds (distance) P-C4' energy: -71.700
flat angles C4'-P-C4' energy: -77.168
flat angles P-C4'-P energy: -52.553
tors. eta vs tors. theta energy: -99.980
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: 2, replica: 6
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1206.651699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.651699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.938245 (E_RNA)
where:
Base-Base interactions energy: -835.755
where: short stacking energy: -336.917
Base-Backbone interact. energy: -1.717
local terms energy: -372.466315
where:
bonds (distance) C4'-P energy: -71.596
bonds (distance) P-C4' energy: -75.628
flat angles C4'-P-C4' energy: -76.222
flat angles P-C4'-P energy: -49.559
tors. eta vs tors. theta energy: -99.461
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: 3, replica: 8
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1194.081105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.081105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.283375 (E_RNA)
where:
Base-Base interactions energy: -825.779
where: short stacking energy: -367.686
Base-Backbone interact. energy: -2.031
local terms energy: -369.474262
where:
bonds (distance) C4'-P energy: -76.370
bonds (distance) P-C4' energy: -55.211
flat angles C4'-P-C4' energy: -76.336
flat angles P-C4'-P energy: -50.971
tors. eta vs tors. theta energy: -110.586
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: 4, replica: 10
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1144.991320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.991320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.894589 (E_RNA)
where:
Base-Base interactions energy: -808.551
where: short stacking energy: -333.969
Base-Backbone interact. energy: -0.352
local terms energy: -338.991486
where:
bonds (distance) C4'-P energy: -62.027
bonds (distance) P-C4' energy: -68.255
flat angles C4'-P-C4' energy: -74.799
flat angles P-C4'-P energy: -48.675
tors. eta vs tors. theta energy: -85.236
Dist. restrs. and SS energy: 2.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1087.557014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.557014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.726388 (E_RNA)
where:
Base-Base interactions energy: -758.524
where: short stacking energy: -299.374
Base-Backbone interact. energy: -0.668
local terms energy: -330.534453
where:
bonds (distance) C4'-P energy: -68.277
bonds (distance) P-C4' energy: -57.452
flat angles C4'-P-C4' energy: -70.241
flat angles P-C4'-P energy: -51.831
tors. eta vs tors. theta energy: -82.734
Dist. restrs. and SS energy: 2.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1020.219086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.219086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.646193 (E_RNA)
where:
Base-Base interactions energy: -704.231
where: short stacking energy: -295.252
Base-Backbone interact. energy: -2.632
local terms energy: -315.783189
where:
bonds (distance) C4'-P energy: -66.195
bonds (distance) P-C4' energy: -54.504
flat angles C4'-P-C4' energy: -73.706
flat angles P-C4'-P energy: -41.058
tors. eta vs tors. theta energy: -80.321
Dist. restrs. and SS energy: 2.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -978.748597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.748597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.593633 (E_RNA)
where:
Base-Base interactions energy: -673.736
where: short stacking energy: -280.157
Base-Backbone interact. energy: -0.542
local terms energy: -310.314913
where:
bonds (distance) C4'-P energy: -68.543
bonds (distance) P-C4' energy: -59.765
flat angles C4'-P-C4' energy: -65.042
flat angles P-C4'-P energy: -35.959
tors. eta vs tors. theta energy: -81.006
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: 8, replica: 2
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -981.279870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.279870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.884468 (E_RNA)
where:
Base-Base interactions energy: -694.456
where: short stacking energy: -272.505
Base-Backbone interact. energy: -0.895
local terms energy: -289.533533
where:
bonds (distance) C4'-P energy: -39.162
bonds (distance) P-C4' energy: -74.052
flat angles C4'-P-C4' energy: -67.716
flat angles P-C4'-P energy: -41.253
tors. eta vs tors. theta energy: -67.350
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: 9, replica: 5
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -910.049224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.049224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.353802 (E_RNA)
where:
Base-Base interactions energy: -638.857
where: short stacking energy: -231.030
Base-Backbone interact. energy: 2.876
local terms energy: -278.372568
where:
bonds (distance) C4'-P energy: -60.809
bonds (distance) P-C4' energy: -56.549
flat angles C4'-P-C4' energy: -63.448
flat angles P-C4'-P energy: -38.055
tors. eta vs tors. theta energy: -59.512
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: 10, replica: 7
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -891.692210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.692210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.409560 (E_RNA)
where:
Base-Base interactions energy: -638.490
where: short stacking energy: -246.242
Base-Backbone interact. energy: -1.351
local terms energy: -255.569220
where:
bonds (distance) C4'-P energy: -54.669
bonds (distance) P-C4' energy: -47.722
flat angles C4'-P-C4' energy: -54.236
flat angles P-C4'-P energy: -35.603
tors. eta vs tors. theta energy: -63.340
Dist. restrs. and SS energy: 3.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1273.498662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.498662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.733700 (E_RNA)
where:
Base-Base interactions energy: -904.755
where: short stacking energy: -373.039
Base-Backbone interact. energy: -2.206
local terms energy: -371.773002
where:
bonds (distance) C4'-P energy: -62.178
bonds (distance) P-C4' energy: -68.842
flat angles C4'-P-C4' energy: -77.183
flat angles P-C4'-P energy: -59.461
tors. eta vs tors. theta energy: -104.109
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: 2, replica: 6
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1219.161846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.161846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.227214 (E_RNA)
where:
Base-Base interactions energy: -847.339
where: short stacking energy: -338.968
Base-Backbone interact. energy: -1.627
local terms energy: -374.261367
where:
bonds (distance) C4'-P energy: -63.038
bonds (distance) P-C4' energy: -64.355
flat angles C4'-P-C4' energy: -80.716
flat angles P-C4'-P energy: -61.854
tors. eta vs tors. theta energy: -104.298
Dist. restrs. and SS energy: 4.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1189.444044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.444044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.121222 (E_RNA)
where:
Base-Base interactions energy: -823.890
where: short stacking energy: -369.418
Base-Backbone interact. energy: -1.749
local terms energy: -367.481978
where:
bonds (distance) C4'-P energy: -64.108
bonds (distance) P-C4' energy: -74.078
flat angles C4'-P-C4' energy: -75.110
flat angles P-C4'-P energy: -46.819
tors. eta vs tors. theta energy: -107.367
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: 4, replica: 10
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1165.124343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.124343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.604696 (E_RNA)
where:
Base-Base interactions energy: -824.332
where: short stacking energy: -334.573
Base-Backbone interact. energy: -3.208
local terms energy: -338.063964
where:
bonds (distance) C4'-P energy: -65.327
bonds (distance) P-C4' energy: -67.951
flat angles C4'-P-C4' energy: -74.922
flat angles P-C4'-P energy: -39.344
tors. eta vs tors. theta energy: -90.520
Dist. restrs. and SS energy: 0.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1072.542122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.542122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.415256 (E_RNA)
where:
Base-Base interactions energy: -740.347
where: short stacking energy: -301.561
Base-Backbone interact. energy: -1.950
local terms energy: -333.117906
where:
bonds (distance) C4'-P energy: -66.118
bonds (distance) P-C4' energy: -64.935
flat angles C4'-P-C4' energy: -71.875
flat angles P-C4'-P energy: -45.287
tors. eta vs tors. theta energy: -84.903
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: 6, replica: 4
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1013.166694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.166694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.207807 (E_RNA)
where:
Base-Base interactions energy: -693.733
where: short stacking energy: -282.497
Base-Backbone interact. energy: 0.168
local terms energy: -323.643421
where:
bonds (distance) C4'-P energy: -60.516
bonds (distance) P-C4' energy: -64.976
flat angles C4'-P-C4' energy: -73.635
flat angles P-C4'-P energy: -53.757
tors. eta vs tors. theta energy: -70.760
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: 7, replica: 3
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -990.244177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.244177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.598996 (E_RNA)
where:
Base-Base interactions energy: -705.330
where: short stacking energy: -288.046
Base-Backbone interact. energy: 3.328
local terms energy: -292.596863
where:
bonds (distance) C4'-P energy: -56.336
bonds (distance) P-C4' energy: -52.530
flat angles C4'-P-C4' energy: -60.159
flat angles P-C4'-P energy: -42.785
tors. eta vs tors. theta energy: -80.787
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: 2
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -970.311273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.311273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.858864 (E_RNA)
where:
Base-Base interactions energy: -670.194
where: short stacking energy: -288.265
Base-Backbone interact. energy: -0.425
local terms energy: -305.239941
where:
bonds (distance) C4'-P energy: -54.310
bonds (distance) P-C4' energy: -69.075
flat angles C4'-P-C4' energy: -63.831
flat angles P-C4'-P energy: -44.707
tors. eta vs tors. theta energy: -73.317
Dist. restrs. and SS energy: 5.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -948.945421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.945421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.765105 (E_RNA)
where:
Base-Base interactions energy: -654.370
where: short stacking energy: -249.300
Base-Backbone interact. energy: -0.605
local terms energy: -297.789286
where:
bonds (distance) C4'-P energy: -54.598
bonds (distance) P-C4' energy: -55.235
flat angles C4'-P-C4' energy: -77.084
flat angles P-C4'-P energy: -46.707
tors. eta vs tors. theta energy: -64.166
Dist. restrs. and SS energy: 3.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -862.018676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.018676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.936182 (E_RNA)
where:
Base-Base interactions energy: -591.436
where: short stacking energy: -237.671
Base-Backbone interact. energy: -0.956
local terms energy: -275.544053
where:
bonds (distance) C4'-P energy: -60.125
bonds (distance) P-C4' energy: -62.131
flat angles C4'-P-C4' energy: -61.905
flat angles P-C4'-P energy: -39.915
tors. eta vs tors. theta energy: -51.468
Dist. restrs. and SS energy: 5.918 (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: 9
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1258.049563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.049563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.909597 (E_RNA)
where:
Base-Base interactions energy: -868.951
where: short stacking energy: -335.063
Base-Backbone interact. energy: -3.712
local terms energy: -389.246383
where:
bonds (distance) C4'-P energy: -63.497
bonds (distance) P-C4' energy: -76.424
flat angles C4'-P-C4' energy: -86.193
flat angles P-C4'-P energy: -63.450
tors. eta vs tors. theta energy: -99.683
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: 2, replica: 6
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1208.605796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.605796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.494333 (E_RNA)
where:
Base-Base interactions energy: -857.796
where: short stacking energy: -355.350
Base-Backbone interact. energy: -2.119
local terms energy: -351.578994
where:
bonds (distance) C4'-P energy: -63.403
bonds (distance) P-C4' energy: -61.001
flat angles C4'-P-C4' energy: -71.344
flat angles P-C4'-P energy: -53.083
tors. eta vs tors. theta energy: -102.748
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: 3, replica: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1190.345119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.345119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.099033 (E_RNA)
where:
Base-Base interactions energy: -823.993
where: short stacking energy: -347.841
Base-Backbone interact. energy: -0.044
local terms energy: -369.062318
where:
bonds (distance) C4'-P energy: -73.825
bonds (distance) P-C4' energy: -67.442
flat angles C4'-P-C4' energy: -72.218
flat angles P-C4'-P energy: -53.813
tors. eta vs tors. theta energy: -101.764
Dist. restrs. and SS energy: 2.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1129.742657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.742657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.100107 (E_RNA)
where:
Base-Base interactions energy: -796.471
where: short stacking energy: -319.930
Base-Backbone interact. energy: 0.955
local terms energy: -335.583685
where:
bonds (distance) C4'-P energy: -60.913
bonds (distance) P-C4' energy: -60.805
flat angles C4'-P-C4' energy: -75.728
flat angles P-C4'-P energy: -50.788
tors. eta vs tors. theta energy: -87.350
Dist. restrs. and SS energy: 1.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1078.016575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.016575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.679636 (E_RNA)
where:
Base-Base interactions energy: -735.598
where: short stacking energy: -304.028
Base-Backbone interact. energy: -4.359
local terms energy: -338.721968
where:
bonds (distance) C4'-P energy: -62.883
bonds (distance) P-C4' energy: -73.915
flat angles C4'-P-C4' energy: -70.987
flat angles P-C4'-P energy: -40.525
tors. eta vs tors. theta energy: -90.412
Dist. restrs. and SS energy: 0.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1028.465265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.465265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.582920 (E_RNA)
where:
Base-Base interactions energy: -717.326
where: short stacking energy: -301.401
Base-Backbone interact. energy: -1.325
local terms energy: -311.932026
where:
bonds (distance) C4'-P energy: -66.793
bonds (distance) P-C4' energy: -57.851
flat angles C4'-P-C4' energy: -70.902
flat angles P-C4'-P energy: -40.455
tors. eta vs tors. theta energy: -75.931
Dist. restrs. and SS energy: 2.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1001.435873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.435873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.667064 (E_RNA)
where:
Base-Base interactions energy: -701.676
where: short stacking energy: -284.037
Base-Backbone interact. energy: -0.452
local terms energy: -300.538716
where:
bonds (distance) C4'-P energy: -64.090
bonds (distance) P-C4' energy: -47.569
flat angles C4'-P-C4' energy: -65.845
flat angles P-C4'-P energy: -50.160
tors. eta vs tors. theta energy: -72.875
Dist. restrs. and SS energy: 1.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -974.937338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.937338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.915707 (E_RNA)
where:
Base-Base interactions energy: -681.890
where: short stacking energy: -280.759
Base-Backbone interact. energy: 2.437
local terms energy: -298.463462
where:
bonds (distance) C4'-P energy: -59.839
bonds (distance) P-C4' energy: -61.286
flat angles C4'-P-C4' energy: -60.279
flat angles P-C4'-P energy: -36.917
tors. eta vs tors. theta energy: -80.142
Dist. restrs. and SS energy: 2.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -933.164842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.164842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.249249 (E_RNA)
where:
Base-Base interactions energy: -637.161
where: short stacking energy: -252.124
Base-Backbone interact. energy: -5.835
local terms energy: -291.253257
where:
bonds (distance) C4'-P energy: -66.828
bonds (distance) P-C4' energy: -59.356
flat angles C4'-P-C4' energy: -62.842
flat angles P-C4'-P energy: -43.239
tors. eta vs tors. theta energy: -58.988
Dist. restrs. and SS energy: 1.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -858.129558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.129558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.098810 (E_RNA)
where:
Base-Base interactions energy: -613.652
where: short stacking energy: -234.732
Base-Backbone interact. energy: -0.765
local terms energy: -248.681980
where:
bonds (distance) C4'-P energy: -53.635
bonds (distance) P-C4' energy: -55.302
flat angles C4'-P-C4' energy: -47.320
flat angles P-C4'-P energy: -32.801
tors. eta vs tors. theta energy: -59.626
Dist. restrs. and SS energy: 4.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1258.379607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.379607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.562616 (E_RNA)
where:
Base-Base interactions energy: -894.614
where: short stacking energy: -361.180
Base-Backbone interact. energy: -2.292
local terms energy: -366.656950
where:
bonds (distance) C4'-P energy: -63.197
bonds (distance) P-C4' energy: -63.187
flat angles C4'-P-C4' energy: -82.218
flat angles P-C4'-P energy: -52.407
tors. eta vs tors. theta energy: -105.649
Dist. restrs. and SS energy: 5.183 (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: 6
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1208.254109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.254109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.618709 (E_RNA)
where:
Base-Base interactions energy: -850.010
where: short stacking energy: -353.351
Base-Backbone interact. energy: -2.846
local terms energy: -358.763235
where:
bonds (distance) C4'-P energy: -57.895
bonds (distance) P-C4' energy: -67.252
flat angles C4'-P-C4' energy: -82.173
flat angles P-C4'-P energy: -57.456
tors. eta vs tors. theta energy: -93.988
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: 3, replica: 8
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1172.430111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.430111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.288856 (E_RNA)
where:
Base-Base interactions energy: -802.783
where: short stacking energy: -338.407
Base-Backbone interact. energy: -1.253
local terms energy: -372.252976
where:
bonds (distance) C4'-P energy: -73.210
bonds (distance) P-C4' energy: -66.914
flat angles C4'-P-C4' energy: -72.020
flat angles P-C4'-P energy: -58.943
tors. eta vs tors. theta energy: -101.167
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: 4, replica: 10
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1141.966126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.966126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.193062 (E_RNA)
where:
Base-Base interactions energy: -820.350
where: short stacking energy: -321.157
Base-Backbone interact. energy: 3.293
local terms energy: -327.136236
where:
bonds (distance) C4'-P energy: -57.499
bonds (distance) P-C4' energy: -73.519
flat angles C4'-P-C4' energy: -68.650
flat angles P-C4'-P energy: -40.128
tors. eta vs tors. theta energy: -87.340
Dist. restrs. and SS energy: 2.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1102.717550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.717550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.306556 (E_RNA)
where:
Base-Base interactions energy: -764.122
where: short stacking energy: -306.644
Base-Backbone interact. energy: -2.671
local terms energy: -336.513304
where:
bonds (distance) C4'-P energy: -56.458
bonds (distance) P-C4' energy: -66.827
flat angles C4'-P-C4' energy: -71.397
flat angles P-C4'-P energy: -52.752
tors. eta vs tors. theta energy: -89.079
Dist. restrs. and SS energy: 0.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -995.875015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.875015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.239139 (E_RNA)
where:
Base-Base interactions energy: -688.643
where: short stacking energy: -277.557
Base-Backbone interact. energy: -1.087
local terms energy: -308.509068
where:
bonds (distance) C4'-P energy: -65.673
bonds (distance) P-C4' energy: -59.353
flat angles C4'-P-C4' energy: -69.443
flat angles P-C4'-P energy: -36.666
tors. eta vs tors. theta energy: -77.374
Dist. restrs. and SS energy: 2.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1017.620886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.620886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.076278 (E_RNA)
where:
Base-Base interactions energy: -701.273
where: short stacking energy: -290.973
Base-Backbone interact. energy: -1.275
local terms energy: -316.528282
where:
bonds (distance) C4'-P energy: -66.573
bonds (distance) P-C4' energy: -57.294
flat angles C4'-P-C4' energy: -69.603
flat angles P-C4'-P energy: -41.893
tors. eta vs tors. theta energy: -81.166
Dist. restrs. and SS energy: 1.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -963.584838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.584838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.208768 (E_RNA)
where:
Base-Base interactions energy: -668.468
where: short stacking energy: -274.996
Base-Backbone interact. energy: 2.714
local terms energy: -301.454058
where:
bonds (distance) C4'-P energy: -60.100
bonds (distance) P-C4' energy: -47.435
flat angles C4'-P-C4' energy: -64.439
flat angles P-C4'-P energy: -50.082
tors. eta vs tors. theta energy: -79.397
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: 9, replica: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -887.201916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.201916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.507082 (E_RNA)
where:
Base-Base interactions energy: -617.443
where: short stacking energy: -253.726
Base-Backbone interact. energy: -1.012
local terms energy: -278.052030
where:
bonds (distance) C4'-P energy: -55.218
bonds (distance) P-C4' energy: -54.478
flat angles C4'-P-C4' energy: -63.079
flat angles P-C4'-P energy: -42.177
tors. eta vs tors. theta energy: -63.101
Dist. restrs. and SS energy: 9.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -875.455043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.455043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.937368 (E_RNA)
where:
Base-Base interactions energy: -610.915
where: short stacking energy: -234.807
Base-Backbone interact. energy: 2.273
local terms energy: -272.295407
where:
bonds (distance) C4'-P energy: -53.884
bonds (distance) P-C4' energy: -74.250
flat angles C4'-P-C4' energy: -58.008
flat angles P-C4'-P energy: -39.606
tors. eta vs tors. theta energy: -46.548
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: 1, replica: 9
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1262.810832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.810832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.971080 (E_RNA)
where:
Base-Base interactions energy: -895.063
where: short stacking energy: -361.490
Base-Backbone interact. energy: -4.603
local terms energy: -367.305258
where:
bonds (distance) C4'-P energy: -62.892
bonds (distance) P-C4' energy: -64.836
flat angles C4'-P-C4' energy: -73.019
flat angles P-C4'-P energy: -63.669
tors. eta vs tors. theta energy: -102.889
Dist. restrs. and SS energy: 4.160 (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: 202
Temperature: 0.950000
Total energy: -1174.303048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.303048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.221005 (E_RNA)
where:
Base-Base interactions energy: -814.968
where: short stacking energy: -335.329
Base-Backbone interact. energy: -3.078
local terms energy: -359.174358
where:
bonds (distance) C4'-P energy: -63.753
bonds (distance) P-C4' energy: -65.902
flat angles C4'-P-C4' energy: -83.230
flat angles P-C4'-P energy: -40.497
tors. eta vs tors. theta energy: -105.792
Dist. restrs. and SS energy: 2.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1195.400532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.400532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.567841 (E_RNA)
where:
Base-Base interactions energy: -843.840
where: short stacking energy: -351.073
Base-Backbone interact. energy: -0.782
local terms energy: -354.945309
where:
bonds (distance) C4'-P energy: -59.463
bonds (distance) P-C4' energy: -67.588
flat angles C4'-P-C4' energy: -67.706
flat angles P-C4'-P energy: -55.553
tors. eta vs tors. theta energy: -104.636
Dist. restrs. and SS energy: 4.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1123.758251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.758251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.402751 (E_RNA)
where:
Base-Base interactions energy: -794.591
where: short stacking energy: -309.242
Base-Backbone interact. energy: -1.635
local terms energy: -331.176836
where:
bonds (distance) C4'-P energy: -56.666
bonds (distance) P-C4' energy: -76.811
flat angles C4'-P-C4' energy: -64.772
flat angles P-C4'-P energy: -48.683
tors. eta vs tors. theta energy: -84.245
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: 1
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1108.839528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.839528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.215258 (E_RNA)
where:
Base-Base interactions energy: -777.578
where: short stacking energy: -316.101
Base-Backbone interact. energy: 2.877
local terms energy: -335.513934
where:
bonds (distance) C4'-P energy: -58.158
bonds (distance) P-C4' energy: -66.384
flat angles C4'-P-C4' energy: -71.886
flat angles P-C4'-P energy: -51.424
tors. eta vs tors. theta energy: -87.662
Dist. restrs. and SS energy: 1.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1007.975916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.975916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.672173 (E_RNA)
where:
Base-Base interactions energy: -687.304
where: short stacking energy: -266.551
Base-Backbone interact. energy: 3.377
local terms energy: -327.745365
where:
bonds (distance) C4'-P energy: -62.035
bonds (distance) P-C4' energy: -61.625
flat angles C4'-P-C4' energy: -69.369
flat angles P-C4'-P energy: -51.665
tors. eta vs tors. theta energy: -83.051
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: 2
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -992.048815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.048815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.649821 (E_RNA)
where:
Base-Base interactions energy: -683.931
where: short stacking energy: -281.147
Base-Backbone interact. energy: -1.187
local terms energy: -308.532000
where:
bonds (distance) C4'-P energy: -67.785
bonds (distance) P-C4' energy: -52.439
flat angles C4'-P-C4' energy: -68.733
flat angles P-C4'-P energy: -37.632
tors. eta vs tors. theta energy: -81.944
Dist. restrs. and SS energy: 1.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -932.036136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.036136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.700479 (E_RNA)
where:
Base-Base interactions energy: -653.241
where: short stacking energy: -250.336
Base-Backbone interact. energy: -1.937
local terms energy: -281.522218
where:
bonds (distance) C4'-P energy: -60.052
bonds (distance) P-C4' energy: -61.220
flat angles C4'-P-C4' energy: -67.788
flat angles P-C4'-P energy: -38.477
tors. eta vs tors. theta energy: -53.986
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: 9, replica: 7
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -904.868998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.868998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.901462 (E_RNA)
where:
Base-Base interactions energy: -635.057
where: short stacking energy: -255.425
Base-Backbone interact. energy: -0.926
local terms energy: -274.918916
where:
bonds (distance) C4'-P energy: -57.923
bonds (distance) P-C4' energy: -48.083
flat angles C4'-P-C4' energy: -59.433
flat angles P-C4'-P energy: -47.982
tors. eta vs tors. theta energy: -61.498
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: 10, replica: 5
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -888.148199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.148199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.600292 (E_RNA)
where:
Base-Base interactions energy: -629.342
where: short stacking energy: -248.853
Base-Backbone interact. energy: -2.039
local terms energy: -261.219336
where:
bonds (distance) C4'-P energy: -39.990
bonds (distance) P-C4' energy: -54.350
flat angles C4'-P-C4' energy: -64.705
flat angles P-C4'-P energy: -32.946
tors. eta vs tors. theta energy: -69.228
Dist. restrs. and SS energy: 4.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1260.104173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.104173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.806474 (E_RNA)
where:
Base-Base interactions energy: -883.395
where: short stacking energy: -361.798
Base-Backbone interact. energy: -2.167
local terms energy: -379.243947
where:
bonds (distance) C4'-P energy: -64.253
bonds (distance) P-C4' energy: -74.592
flat angles C4'-P-C4' energy: -87.263
flat angles P-C4'-P energy: -47.130
tors. eta vs tors. theta energy: -106.007
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: 2, replica: 6
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1197.024817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.024817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.705124 (E_RNA)
where:
Base-Base interactions energy: -834.520
where: short stacking energy: -340.261
Base-Backbone interact. energy: -2.629
local terms energy: -363.555968
where:
bonds (distance) C4'-P energy: -62.844
bonds (distance) P-C4' energy: -73.488
flat angles C4'-P-C4' energy: -81.289
flat angles P-C4'-P energy: -57.221
tors. eta vs tors. theta energy: -88.714
Dist. restrs. and SS energy: 3.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1205.029326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.029326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.451105 (E_RNA)
where:
Base-Base interactions energy: -832.066
where: short stacking energy: -333.970
Base-Backbone interact. energy: -1.789
local terms energy: -374.596644
where:
bonds (distance) C4'-P energy: -70.477
bonds (distance) P-C4' energy: -73.308
flat angles C4'-P-C4' energy: -81.533
flat angles P-C4'-P energy: -52.183
tors. eta vs tors. theta energy: -97.096
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: 203
Temperature: 1.050000
Total energy: -1115.446633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.446633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.781542 (E_RNA)
where:
Base-Base interactions energy: -748.735
where: short stacking energy: -312.581
Base-Backbone interact. energy: -1.352
local terms energy: -366.693917
where:
bonds (distance) C4'-P energy: -60.908
bonds (distance) P-C4' energy: -75.651
flat angles C4'-P-C4' energy: -80.534
flat angles P-C4'-P energy: -59.041
tors. eta vs tors. theta energy: -90.560
Dist. restrs. and SS energy: 1.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1102.014269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.014269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.935537 (E_RNA)
where:
Base-Base interactions energy: -769.804
where: short stacking energy: -322.358
Base-Backbone interact. energy: 0.677
local terms energy: -334.808722
where:
bonds (distance) C4'-P energy: -62.469
bonds (distance) P-C4' energy: -63.405
flat angles C4'-P-C4' energy: -75.445
flat angles P-C4'-P energy: -44.194
tors. eta vs tors. theta energy: -89.295
Dist. restrs. and SS energy: 1.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1085.925468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.925468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.054418 (E_RNA)
where:
Base-Base interactions energy: -750.990
where: short stacking energy: -300.338
Base-Backbone interact. energy: -0.017
local terms energy: -337.047489
where:
bonds (distance) C4'-P energy: -44.923
bonds (distance) P-C4' energy: -65.861
flat angles C4'-P-C4' energy: -78.242
flat angles P-C4'-P energy: -48.968
tors. eta vs tors. theta energy: -99.054
Dist. restrs. and SS energy: 2.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -965.159606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.159606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.713994 (E_RNA)
where:
Base-Base interactions energy: -679.556
where: short stacking energy: -284.807
Base-Backbone interact. energy: -0.996
local terms energy: -291.161389
where:
bonds (distance) C4'-P energy: -49.474
bonds (distance) P-C4' energy: -69.721
flat angles C4'-P-C4' energy: -71.516
flat angles P-C4'-P energy: -35.751
tors. eta vs tors. theta energy: -64.698
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: 8, replica: 3
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -938.949324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.949324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.465656 (E_RNA)
where:
Base-Base interactions energy: -641.410
where: short stacking energy: -270.042
Base-Backbone interact. energy: 1.830
local terms energy: -306.885871
where:
bonds (distance) C4'-P energy: -60.100
bonds (distance) P-C4' energy: -69.253
flat angles C4'-P-C4' energy: -56.458
flat angles P-C4'-P energy: -42.446
tors. eta vs tors. theta energy: -78.628
Dist. restrs. and SS energy: 7.516 (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: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -934.466795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.466795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.573754 (E_RNA)
where:
Base-Base interactions energy: -651.316
where: short stacking energy: -270.150
Base-Backbone interact. energy: -1.493
local terms energy: -284.765243
where:
bonds (distance) C4'-P energy: -50.381
bonds (distance) P-C4' energy: -60.576
flat angles C4'-P-C4' energy: -62.345
flat angles P-C4'-P energy: -34.183
tors. eta vs tors. theta energy: -77.281
Dist. restrs. and SS energy: 3.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -853.993763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.993763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.515263 (E_RNA)
where:
Base-Base interactions energy: -607.788
where: short stacking energy: -243.882
Base-Backbone interact. energy: 3.365
local terms energy: -256.091515
where:
bonds (distance) C4'-P energy: -56.550
bonds (distance) P-C4' energy: -49.484
flat angles C4'-P-C4' energy: -44.042
flat angles P-C4'-P energy: -45.836
tors. eta vs tors. theta energy: -60.178
Dist. restrs. and SS energy: 6.522 (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: 9
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1270.304835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.304835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.576210 (E_RNA)
where:
Base-Base interactions energy: -889.380
where: short stacking energy: -361.958
Base-Backbone interact. energy: -3.223
local terms energy: -381.973249
where:
bonds (distance) C4'-P energy: -74.552
bonds (distance) P-C4' energy: -78.598
flat angles C4'-P-C4' energy: -77.868
flat angles P-C4'-P energy: -53.444
tors. eta vs tors. theta energy: -97.512
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: 2, replica: 6
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1194.602986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.602986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.112661 (E_RNA)
where:
Base-Base interactions energy: -831.221
where: short stacking energy: -332.620
Base-Backbone interact. energy: -2.293
local terms energy: -365.598391
where:
bonds (distance) C4'-P energy: -74.806
bonds (distance) P-C4' energy: -67.182
flat angles C4'-P-C4' energy: -71.445
flat angles P-C4'-P energy: -59.058
tors. eta vs tors. theta energy: -93.106
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: 3, replica: 8
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1183.692186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.692186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.074155 (E_RNA)
where:
Base-Base interactions energy: -826.383
where: short stacking energy: -328.967
Base-Backbone interact. energy: -3.638
local terms energy: -358.052780
where:
bonds (distance) C4'-P energy: -58.509
bonds (distance) P-C4' energy: -67.300
flat angles C4'-P-C4' energy: -78.565
flat angles P-C4'-P energy: -48.680
tors. eta vs tors. theta energy: -104.998
Dist. restrs. and SS energy: 4.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1111.568063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.568063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.756407 (E_RNA)
where:
Base-Base interactions energy: -765.615
where: short stacking energy: -323.843
Base-Backbone interact. energy: -2.475
local terms energy: -347.666694
where:
bonds (distance) C4'-P energy: -54.611
bonds (distance) P-C4' energy: -68.055
flat angles C4'-P-C4' energy: -76.655
flat angles P-C4'-P energy: -52.284
tors. eta vs tors. theta energy: -96.061
Dist. restrs. and SS energy: 4.188 (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: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1113.381443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.381443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.882508 (E_RNA)
where:
Base-Base interactions energy: -778.970
where: short stacking energy: -309.081
Base-Backbone interact. energy: 1.418
local terms energy: -338.330749
where:
bonds (distance) C4'-P energy: -64.286
bonds (distance) P-C4' energy: -77.864
flat angles C4'-P-C4' energy: -69.986
flat angles P-C4'-P energy: -45.915
tors. eta vs tors. theta energy: -80.279
Dist. restrs. and SS energy: 2.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1046.770030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.770030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.114636 (E_RNA)
where:
Base-Base interactions energy: -718.395
where: short stacking energy: -290.472
Base-Backbone interact. energy: 1.216
local terms energy: -335.935551
where:
bonds (distance) C4'-P energy: -64.432
bonds (distance) P-C4' energy: -72.741
flat angles C4'-P-C4' energy: -69.012
flat angles P-C4'-P energy: -47.942
tors. eta vs tors. theta energy: -81.808
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: 3
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -945.418278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.418278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.423084 (E_RNA)
where:
Base-Base interactions energy: -668.243
where: short stacking energy: -266.731
Base-Backbone interact. energy: -0.053
local terms energy: -281.126772
where:
bonds (distance) C4'-P energy: -57.448
bonds (distance) P-C4' energy: -51.204
flat angles C4'-P-C4' energy: -61.251
flat angles P-C4'-P energy: -42.908
tors. eta vs tors. theta energy: -68.315
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: 4
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -949.787056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.787056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.379035 (E_RNA)
where:
Base-Base interactions energy: -645.254
where: short stacking energy: -257.200
Base-Backbone interact. energy: -0.201
local terms energy: -315.923888
where:
bonds (distance) C4'-P energy: -68.238
bonds (distance) P-C4' energy: -52.277
flat angles C4'-P-C4' energy: -73.437
flat angles P-C4'-P energy: -38.808
tors. eta vs tors. theta energy: -83.164
Dist. restrs. and SS energy: 11.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -873.092332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.092332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.722438 (E_RNA)
where:
Base-Base interactions energy: -600.279
where: short stacking energy: -239.720
Base-Backbone interact. energy: 3.715
local terms energy: -282.158898
where:
bonds (distance) C4'-P energy: -60.345
bonds (distance) P-C4' energy: -55.691
flat angles C4'-P-C4' energy: -59.395
flat angles P-C4'-P energy: -47.147
tors. eta vs tors. theta energy: -59.581
Dist. restrs. and SS energy: 5.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -872.379330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.379330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.572577 (E_RNA)
where:
Base-Base interactions energy: -615.293
where: short stacking energy: -233.653
Base-Backbone interact. energy: 0.941
local terms energy: -263.220118
where:
bonds (distance) C4'-P energy: -56.388
bonds (distance) P-C4' energy: -71.768
flat angles C4'-P-C4' energy: -58.030
flat angles P-C4'-P energy: -31.428
tors. eta vs tors. theta energy: -45.606
Dist. restrs. and SS energy: 5.193 (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: 9
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1273.741413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.741413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.666534 (E_RNA)
where:
Base-Base interactions energy: -891.453
where: short stacking energy: -357.445
Base-Backbone interact. energy: -3.372
local terms energy: -383.841335
where:
bonds (distance) C4'-P energy: -64.936
bonds (distance) P-C4' energy: -78.931
flat angles C4'-P-C4' energy: -78.505
flat angles P-C4'-P energy: -58.220
tors. eta vs tors. theta energy: -103.249
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: 2, replica: 8
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1216.537095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.537095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.548298 (E_RNA)
where:
Base-Base interactions energy: -875.236
where: short stacking energy: -338.344
Base-Backbone interact. energy: -2.236
local terms energy: -344.076594
where:
bonds (distance) C4'-P energy: -61.067
bonds (distance) P-C4' energy: -63.815
flat angles C4'-P-C4' energy: -78.085
flat angles P-C4'-P energy: -49.612
tors. eta vs tors. theta energy: -91.498
Dist. restrs. and SS energy: 5.011 (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: 6
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1167.689057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.689057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.756454 (E_RNA)
where:
Base-Base interactions energy: -806.612
where: short stacking energy: -343.569
Base-Backbone interact. energy: 1.894
local terms energy: -366.038844
where:
bonds (distance) C4'-P energy: -69.791
bonds (distance) P-C4' energy: -64.967
flat angles C4'-P-C4' energy: -79.569
flat angles P-C4'-P energy: -56.478
tors. eta vs tors. theta energy: -95.234
Dist. restrs. and SS energy: 3.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1133.344769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.344769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.060655 (E_RNA)
where:
Base-Base interactions energy: -792.986
where: short stacking energy: -320.377
Base-Backbone interact. energy: -1.277
local terms energy: -342.797750
where:
bonds (distance) C4'-P energy: -72.900
bonds (distance) P-C4' energy: -63.094
flat angles C4'-P-C4' energy: -76.010
flat angles P-C4'-P energy: -38.475
tors. eta vs tors. theta energy: -92.318
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: 5, replica: 1
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1076.556645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.556645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.920548 (E_RNA)
where:
Base-Base interactions energy: -737.867
where: short stacking energy: -308.167
Base-Backbone interact. energy: 2.217
local terms energy: -345.270895
where:
bonds (distance) C4'-P energy: -71.832
bonds (distance) P-C4' energy: -71.659
flat angles C4'-P-C4' energy: -69.643
flat angles P-C4'-P energy: -39.611
tors. eta vs tors. theta energy: -92.525
Dist. restrs. and SS energy: 4.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1005.408860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.408860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.730763 (E_RNA)
where:
Base-Base interactions energy: -704.879
where: short stacking energy: -290.208
Base-Backbone interact. energy: 0.349
local terms energy: -302.200394
where:
bonds (distance) C4'-P energy: -52.307
bonds (distance) P-C4' energy: -64.350
flat angles C4'-P-C4' energy: -61.111
flat angles P-C4'-P energy: -43.258
tors. eta vs tors. theta energy: -81.175
Dist. restrs. and SS energy: 1.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1009.895083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.895083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.310264 (E_RNA)
where:
Base-Base interactions energy: -703.073
where: short stacking energy: -288.247
Base-Backbone interact. energy: -2.284
local terms energy: -308.953273
where:
bonds (distance) C4'-P energy: -57.305
bonds (distance) P-C4' energy: -59.073
flat angles C4'-P-C4' energy: -76.473
flat angles P-C4'-P energy: -40.561
tors. eta vs tors. theta energy: -75.542
Dist. restrs. and SS energy: 4.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -950.424146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.424146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.858905 (E_RNA)
where:
Base-Base interactions energy: -665.672
where: short stacking energy: -266.900
Base-Backbone interact. energy: 1.713
local terms energy: -291.900061
where:
bonds (distance) C4'-P energy: -63.100
bonds (distance) P-C4' energy: -57.768
flat angles C4'-P-C4' energy: -65.859
flat angles P-C4'-P energy: -42.266
tors. eta vs tors. theta energy: -62.908
Dist. restrs. and SS energy: 5.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -940.907514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.907514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.066065 (E_RNA)
where:
Base-Base interactions energy: -647.866
where: short stacking energy: -261.875
Base-Backbone interact. energy: -0.972
local terms energy: -300.228462
where:
bonds (distance) C4'-P energy: -66.428
bonds (distance) P-C4' energy: -57.244
flat angles C4'-P-C4' energy: -58.347
flat angles P-C4'-P energy: -44.906
tors. eta vs tors. theta energy: -73.303
Dist. restrs. and SS energy: 8.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -853.870469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.870469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.208581 (E_RNA)
where:
Base-Base interactions energy: -600.639
where: short stacking energy: -235.945
Base-Backbone interact. energy: 0.661
local terms energy: -258.231361
where:
bonds (distance) C4'-P energy: -63.231
bonds (distance) P-C4' energy: -62.871
flat angles C4'-P-C4' energy: -49.017
flat angles P-C4'-P energy: -33.233
tors. eta vs tors. theta energy: -49.880
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: 1, replica: 9
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1277.116222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.116222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.896274 (E_RNA)
where:
Base-Base interactions energy: -894.510
where: short stacking energy: -352.326
Base-Backbone interact. energy: -3.300
local terms energy: -383.085939
where:
bonds (distance) C4'-P energy: -67.445
bonds (distance) P-C4' energy: -78.252
flat angles C4'-P-C4' energy: -77.065
flat angles P-C4'-P energy: -56.787
tors. eta vs tors. theta energy: -103.537
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: 2, replica: 8
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1216.979421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.979421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.196835 (E_RNA)
where:
Base-Base interactions energy: -850.986
where: short stacking energy: -341.222
Base-Backbone interact. energy: -1.428
local terms energy: -367.782448
where:
bonds (distance) C4'-P energy: -69.509
bonds (distance) P-C4' energy: -63.493
flat angles C4'-P-C4' energy: -80.245
flat angles P-C4'-P energy: -57.128
tors. eta vs tors. theta energy: -97.406
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: 6
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1154.420488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.420488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.910247 (E_RNA)
where:
Base-Base interactions energy: -812.025
where: short stacking energy: -332.711
Base-Backbone interact. energy: -2.480
local terms energy: -345.405364
where:
bonds (distance) C4'-P energy: -60.866
bonds (distance) P-C4' energy: -60.440
flat angles C4'-P-C4' energy: -73.279
flat angles P-C4'-P energy: -56.923
tors. eta vs tors. theta energy: -93.896
Dist. restrs. and SS energy: 5.490 (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: 10
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1089.209865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.209865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.856210 (E_RNA)
where:
Base-Base interactions energy: -754.428
where: short stacking energy: -289.063
Base-Backbone interact. energy: -3.165
local terms energy: -336.263637
where:
bonds (distance) C4'-P energy: -62.120
bonds (distance) P-C4' energy: -62.405
flat angles C4'-P-C4' energy: -75.513
flat angles P-C4'-P energy: -55.524
tors. eta vs tors. theta energy: -80.701
Dist. restrs. and SS energy: 4.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1109.032286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.032286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.289705 (E_RNA)
where:
Base-Base interactions energy: -758.997
where: short stacking energy: -296.061
Base-Backbone interact. energy: -5.330
local terms energy: -347.963035
where:
bonds (distance) C4'-P energy: -55.326
bonds (distance) P-C4' energy: -75.776
flat angles C4'-P-C4' energy: -72.924
flat angles P-C4'-P energy: -46.423
tors. eta vs tors. theta energy: -97.514
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: 3
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -984.897170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.897170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.450411 (E_RNA)
where:
Base-Base interactions energy: -700.359
where: short stacking energy: -276.564
Base-Backbone interact. energy: -1.292
local terms energy: -286.799308
where:
bonds (distance) C4'-P energy: -54.342
bonds (distance) P-C4' energy: -62.050
flat angles C4'-P-C4' energy: -65.951
flat angles P-C4'-P energy: -38.107
tors. eta vs tors. theta energy: -66.349
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: 7, replica: 2
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1044.152656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.152656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.557184 (E_RNA)
where:
Base-Base interactions energy: -730.074
where: short stacking energy: -316.888
Base-Backbone interact. energy: -2.785
local terms energy: -313.698450
where:
bonds (distance) C4'-P energy: -59.156
bonds (distance) P-C4' energy: -62.647
flat angles C4'-P-C4' energy: -60.152
flat angles P-C4'-P energy: -41.563
tors. eta vs tors. theta energy: -90.180
Dist. restrs. and SS energy: 2.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -952.223859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.223859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.667342 (E_RNA)
where:
Base-Base interactions energy: -672.877
where: short stacking energy: -268.788
Base-Backbone interact. energy: 0.846
local terms energy: -282.636879
where:
bonds (distance) C4'-P energy: -62.685
bonds (distance) P-C4' energy: -62.018
flat angles C4'-P-C4' energy: -60.111
flat angles P-C4'-P energy: -40.791
tors. eta vs tors. theta energy: -57.032
Dist. restrs. and SS energy: 2.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -954.027230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.027230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.173796 (E_RNA)
where:
Base-Base interactions energy: -650.316
where: short stacking energy: -265.808
Base-Backbone interact. energy: -1.528
local terms energy: -308.329831
where:
bonds (distance) C4'-P energy: -57.497
bonds (distance) P-C4' energy: -62.252
flat angles C4'-P-C4' energy: -72.515
flat angles P-C4'-P energy: -47.210
tors. eta vs tors. theta energy: -68.857
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: 10, replica: 7
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -859.529652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.529652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.956819 (E_RNA)
where:
Base-Base interactions energy: -607.888
where: short stacking energy: -240.559
Base-Backbone interact. energy: -2.175
local terms energy: -258.894474
where:
bonds (distance) C4'-P energy: -53.087
bonds (distance) P-C4' energy: -61.129
flat angles C4'-P-C4' energy: -51.338
flat angles P-C4'-P energy: -37.298
tors. eta vs tors. theta energy: -56.043
Dist. restrs. and SS energy: 9.427 (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: 9
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1250.327030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.327030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.204765 (E_RNA)
where:
Base-Base interactions energy: -866.599
where: short stacking energy: -351.711
Base-Backbone interact. energy: -5.700
local terms energy: -381.905608
where:
bonds (distance) C4'-P energy: -64.987
bonds (distance) P-C4' energy: -69.105
flat angles C4'-P-C4' energy: -80.159
flat angles P-C4'-P energy: -59.547
tors. eta vs tors. theta energy: -108.108
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: 8
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1220.497964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.497964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.294284 (E_RNA)
where:
Base-Base interactions energy: -858.872
where: short stacking energy: -376.676
Base-Backbone interact. energy: -0.928
local terms energy: -364.494113
where:
bonds (distance) C4'-P energy: -64.045
bonds (distance) P-C4' energy: -69.515
flat angles C4'-P-C4' energy: -75.153
flat angles P-C4'-P energy: -53.504
tors. eta vs tors. theta energy: -102.278
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: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1146.658461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.658461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.770432 (E_RNA)
where:
Base-Base interactions energy: -776.970
where: short stacking energy: -316.824
Base-Backbone interact. energy: -2.199
local terms energy: -370.600818
where:
bonds (distance) C4'-P energy: -60.848
bonds (distance) P-C4' energy: -70.277
flat angles C4'-P-C4' energy: -82.260
flat angles P-C4'-P energy: -58.311
tors. eta vs tors. theta energy: -98.904
Dist. restrs. and SS energy: 3.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1116.025370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.025370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.136203 (E_RNA)
where:
Base-Base interactions energy: -789.649
where: short stacking energy: -330.510
Base-Backbone interact. energy: -1.238
local terms energy: -330.249183
where:
bonds (distance) C4'-P energy: -57.515
bonds (distance) P-C4' energy: -56.411
flat angles C4'-P-C4' energy: -69.215
flat angles P-C4'-P energy: -52.092
tors. eta vs tors. theta energy: -95.017
Dist. restrs. and SS energy: 5.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1016.105545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.105545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.821762 (E_RNA)
where:
Base-Base interactions energy: -727.347
where: short stacking energy: -290.817
Base-Backbone interact. energy: -1.953
local terms energy: -295.521197
where:
bonds (distance) C4'-P energy: -51.222
bonds (distance) P-C4' energy: -64.434
flat angles C4'-P-C4' energy: -71.905
flat angles P-C4'-P energy: -42.304
tors. eta vs tors. theta energy: -65.656
Dist. restrs. and SS energy: 8.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1067.783796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.783796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.004381 (E_RNA)
where:
Base-Base interactions energy: -739.874
where: short stacking energy: -299.391
Base-Backbone interact. energy: -0.473
local terms energy: -331.656890
where:
bonds (distance) C4'-P energy: -70.355
bonds (distance) P-C4' energy: -58.779
flat angles C4'-P-C4' energy: -71.795
flat angles P-C4'-P energy: -49.348
tors. eta vs tors. theta energy: -81.380
Dist. restrs. and SS energy: 4.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -987.112347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.112347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.450133 (E_RNA)
where:
Base-Base interactions energy: -699.873
where: short stacking energy: -269.106
Base-Backbone interact. energy: -0.143
local terms energy: -295.434031
where:
bonds (distance) C4'-P energy: -48.038
bonds (distance) P-C4' energy: -63.156
flat angles C4'-P-C4' energy: -63.848
flat angles P-C4'-P energy: -52.901
tors. eta vs tors. theta energy: -67.491
Dist. restrs. and SS energy: 8.338 (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: 5
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -943.097204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.097204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.633323 (E_RNA)
where:
Base-Base interactions energy: -642.506
where: short stacking energy: -247.876
Base-Backbone interact. energy: -1.129
local terms energy: -303.998220
where:
bonds (distance) C4'-P energy: -63.824
bonds (distance) P-C4' energy: -63.730
flat angles C4'-P-C4' energy: -71.742
flat angles P-C4'-P energy: -35.883
tors. eta vs tors. theta energy: -68.820
Dist. restrs. and SS energy: 4.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -922.979833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.979833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.955859 (E_RNA)
where:
Base-Base interactions energy: -651.714
where: short stacking energy: -260.481
Base-Backbone interact. energy: -0.355
local terms energy: -278.886687
where:
bonds (distance) C4'-P energy: -55.956
bonds (distance) P-C4' energy: -54.102
flat angles C4'-P-C4' energy: -62.762
flat angles P-C4'-P energy: -43.637
tors. eta vs tors. theta energy: -62.431
Dist. restrs. and SS energy: 7.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -832.092593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.092593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.275902 (E_RNA)
where:
Base-Base interactions energy: -596.576
where: short stacking energy: -229.684
Base-Backbone interact. energy: -3.890
local terms energy: -243.809779
where:
bonds (distance) C4'-P energy: -55.181
bonds (distance) P-C4' energy: -46.440
flat angles C4'-P-C4' energy: -47.880
flat angles P-C4'-P energy: -44.930
tors. eta vs tors. theta energy: -49.379
Dist. restrs. and SS energy: 12.183 (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: 8
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1254.167957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.167957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.758104 (E_RNA)
where:
Base-Base interactions energy: -881.361
where: short stacking energy: -355.580
Base-Backbone interact. energy: -0.404
local terms energy: -375.992325
where:
bonds (distance) C4'-P energy: -69.298
bonds (distance) P-C4' energy: -65.483
flat angles C4'-P-C4' energy: -78.950
flat angles P-C4'-P energy: -61.300
tors. eta vs tors. theta energy: -100.962
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: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1210.548046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.548046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.669235 (E_RNA)
where:
Base-Base interactions energy: -854.236
where: short stacking energy: -351.160
Base-Backbone interact. energy: -3.896
local terms energy: -357.536572
where:
bonds (distance) C4'-P energy: -53.378
bonds (distance) P-C4' energy: -74.719
flat angles C4'-P-C4' energy: -75.839
flat angles P-C4'-P energy: -52.977
tors. eta vs tors. theta energy: -100.623
Dist. restrs. and SS energy: 5.121 (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: 6
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1177.518476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.518476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.404787 (E_RNA)
where:
Base-Base interactions energy: -825.092
where: short stacking energy: -338.289
Base-Backbone interact. energy: -0.581
local terms energy: -354.732274
where:
bonds (distance) C4'-P energy: -64.687
bonds (distance) P-C4' energy: -60.756
flat angles C4'-P-C4' energy: -78.784
flat angles P-C4'-P energy: -53.374
tors. eta vs tors. theta energy: -97.131
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: 4, replica: 1
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1112.181063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.181063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.402884 (E_RNA)
where:
Base-Base interactions energy: -755.143
where: short stacking energy: -327.785
Base-Backbone interact. energy: -0.242
local terms energy: -361.018219
where:
bonds (distance) C4'-P energy: -73.540
bonds (distance) P-C4' energy: -68.739
flat angles C4'-P-C4' energy: -64.806
flat angles P-C4'-P energy: -59.981
tors. eta vs tors. theta energy: -93.953
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: 5, replica: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1085.714904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.714904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.352029 (E_RNA)
where:
Base-Base interactions energy: -747.189
where: short stacking energy: -302.495
Base-Backbone interact. energy: -0.937
local terms energy: -341.226707
where:
bonds (distance) C4'-P energy: -64.224
bonds (distance) P-C4' energy: -69.478
flat angles C4'-P-C4' energy: -67.314
flat angles P-C4'-P energy: -58.353
tors. eta vs tors. theta energy: -81.857
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: 6, replica: 10
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1019.800224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.800224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.886639 (E_RNA)
where:
Base-Base interactions energy: -725.970
where: short stacking energy: -284.234
Base-Backbone interact. energy: -1.739
local terms energy: -296.177876
where:
bonds (distance) C4'-P energy: -55.489
bonds (distance) P-C4' energy: -61.299
flat angles C4'-P-C4' energy: -64.413
flat angles P-C4'-P energy: -43.100
tors. eta vs tors. theta energy: -71.877
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: 7, replica: 3
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -972.142216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.142216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.823817 (E_RNA)
where:
Base-Base interactions energy: -675.898
where: short stacking energy: -271.270
Base-Backbone interact. energy: -0.871
local terms energy: -307.055499
where:
bonds (distance) C4'-P energy: -53.757
bonds (distance) P-C4' energy: -71.492
flat angles C4'-P-C4' energy: -68.619
flat angles P-C4'-P energy: -41.880
tors. eta vs tors. theta energy: -71.308
Dist. restrs. and SS energy: 11.682 (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: 5
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -911.764502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.764502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.307942 (E_RNA)
where:
Base-Base interactions energy: -642.032
where: short stacking energy: -263.554
Base-Backbone interact. energy: -2.093
local terms energy: -279.183550
where:
bonds (distance) C4'-P energy: -44.409
bonds (distance) P-C4' energy: -55.492
flat angles C4'-P-C4' energy: -61.975
flat angles P-C4'-P energy: -50.665
tors. eta vs tors. theta energy: -66.643
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: 4
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -955.430971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.430971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.357503 (E_RNA)
where:
Base-Base interactions energy: -664.984
where: short stacking energy: -268.062
Base-Backbone interact. energy: -1.081
local terms energy: -291.292905
where:
bonds (distance) C4'-P energy: -60.064
bonds (distance) P-C4' energy: -64.419
flat angles C4'-P-C4' energy: -58.137
flat angles P-C4'-P energy: -36.842
tors. eta vs tors. theta energy: -71.832
Dist. restrs. and SS energy: 1.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -843.061032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.061032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.390933 (E_RNA)
where:
Base-Base interactions energy: -581.764
where: short stacking energy: -229.126
Base-Backbone interact. energy: 1.004
local terms energy: -272.630948
where:
bonds (distance) C4'-P energy: -54.105
bonds (distance) P-C4' energy: -51.183
flat angles C4'-P-C4' energy: -55.209
flat angles P-C4'-P energy: -43.587
tors. eta vs tors. theta energy: -68.547
Dist. restrs. and SS energy: 10.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1222.555830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.555830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.835696 (E_RNA)
where:
Base-Base interactions energy: -852.756
where: short stacking energy: -352.122
Base-Backbone interact. energy: -2.897
local terms energy: -371.183480
where:
bonds (distance) C4'-P energy: -68.836
bonds (distance) P-C4' energy: -69.924
flat angles C4'-P-C4' energy: -77.396
flat angles P-C4'-P energy: -54.034
tors. eta vs tors. theta energy: -100.993
Dist. restrs. and SS energy: 4.280 (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: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1205.643506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.643506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.770640 (E_RNA)
where:
Base-Base interactions energy: -863.618
where: short stacking energy: -350.536
Base-Backbone interact. energy: -1.401
local terms energy: -344.750734
where:
bonds (distance) C4'-P energy: -61.781
bonds (distance) P-C4' energy: -69.630
flat angles C4'-P-C4' energy: -79.308
flat angles P-C4'-P energy: -41.862
tors. eta vs tors. theta energy: -92.171
Dist. restrs. and SS energy: 4.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1174.086479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.086479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.565866 (E_RNA)
where:
Base-Base interactions energy: -801.339
where: short stacking energy: -343.067
Base-Backbone interact. energy: -4.461
local terms energy: -370.766198
where:
bonds (distance) C4'-P energy: -64.521
bonds (distance) P-C4' energy: -66.144
flat angles C4'-P-C4' energy: -85.214
flat angles P-C4'-P energy: -53.029
tors. eta vs tors. theta energy: -101.860
Dist. restrs. and SS energy: 2.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1097.141527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.141527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.104461 (E_RNA)
where:
Base-Base interactions energy: -763.534
where: short stacking energy: -326.828
Base-Backbone interact. energy: 1.089
local terms energy: -339.659577
where:
bonds (distance) C4'-P energy: -63.417
bonds (distance) P-C4' energy: -64.274
flat angles C4'-P-C4' energy: -70.788
flat angles P-C4'-P energy: -52.573
tors. eta vs tors. theta energy: -88.608
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: 5, replica: 2
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1118.861494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.861494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.433427 (E_RNA)
where:
Base-Base interactions energy: -792.034
where: short stacking energy: -323.724
Base-Backbone interact. energy: 0.923
local terms energy: -330.322382
where:
bonds (distance) C4'-P energy: -66.681
bonds (distance) P-C4' energy: -62.786
flat angles C4'-P-C4' energy: -60.688
flat angles P-C4'-P energy: -46.390
tors. eta vs tors. theta energy: -93.778
Dist. restrs. and SS energy: 2.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1020.794099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.794099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.758722 (E_RNA)
where:
Base-Base interactions energy: -707.607
where: short stacking energy: -291.575
Base-Backbone interact. energy: -0.327
local terms energy: -316.825273
where:
bonds (distance) C4'-P energy: -67.916
bonds (distance) P-C4' energy: -65.555
flat angles C4'-P-C4' energy: -65.688
flat angles P-C4'-P energy: -44.707
tors. eta vs tors. theta energy: -72.959
Dist. restrs. and SS energy: 3.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -955.086509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.086509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.740594 (E_RNA)
where:
Base-Base interactions energy: -680.368
where: short stacking energy: -279.949
Base-Backbone interact. energy: -1.625
local terms energy: -281.747000
where:
bonds (distance) C4'-P energy: -56.813
bonds (distance) P-C4' energy: -56.155
flat angles C4'-P-C4' energy: -58.120
flat angles P-C4'-P energy: -44.482
tors. eta vs tors. theta energy: -66.176
Dist. restrs. and SS energy: 8.654 (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: 4
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -944.366431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.366431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.286658 (E_RNA)
where:
Base-Base interactions energy: -640.371
where: short stacking energy: -251.500
Base-Backbone interact. energy: 0.759
local terms energy: -308.674875
where:
bonds (distance) C4'-P energy: -77.587
bonds (distance) P-C4' energy: -64.396
flat angles C4'-P-C4' energy: -71.127
flat angles P-C4'-P energy: -35.532
tors. eta vs tors. theta energy: -60.034
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: 9, replica: 5
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -913.696810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.696810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.169939 (E_RNA)
where:
Base-Base interactions energy: -656.150
where: short stacking energy: -264.638
Base-Backbone interact. energy: -1.384
local terms energy: -262.635815
where:
bonds (distance) C4'-P energy: -58.964
bonds (distance) P-C4' energy: -46.552
flat angles C4'-P-C4' energy: -62.882
flat angles P-C4'-P energy: -37.804
tors. eta vs tors. theta energy: -56.434
Dist. restrs. and SS energy: 6.473 (S_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: 209
Temperature: 1.350000
Total energy: -839.548038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.548038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.613973 (E_RNA)
where:
Base-Base interactions energy: -582.149
where: short stacking energy: -229.578
Base-Backbone interact. energy: -0.362
local terms energy: -261.103744
where:
bonds (distance) C4'-P energy: -62.453
bonds (distance) P-C4' energy: -50.702
flat angles C4'-P-C4' energy: -63.320
flat angles P-C4'-P energy: -37.482
tors. eta vs tors. theta energy: -47.146
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: 1, replica: 9
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1249.405577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.405577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.231372 (E_RNA)
where:
Base-Base interactions energy: -881.763
where: short stacking energy: -364.791
Base-Backbone interact. energy: -1.674
local terms energy: -369.794663
where:
bonds (distance) C4'-P energy: -70.705
bonds (distance) P-C4' energy: -61.597
flat angles C4'-P-C4' energy: -76.804
flat angles P-C4'-P energy: -59.452
tors. eta vs tors. theta energy: -101.236
Dist. restrs. and SS energy: 3.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1215.156936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.156936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.643784 (E_RNA)
where:
Base-Base interactions energy: -844.853
where: short stacking energy: -344.639
Base-Backbone interact. energy: -2.075
local terms energy: -371.715449
where:
bonds (distance) C4'-P energy: -68.019
bonds (distance) P-C4' energy: -71.787
flat angles C4'-P-C4' energy: -80.870
flat angles P-C4'-P energy: -48.670
tors. eta vs tors. theta energy: -102.370
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: 3, replica: 6
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1153.275065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.275065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.242319 (E_RNA)
where:
Base-Base interactions energy: -818.708
where: short stacking energy: -309.214
Base-Backbone interact. energy: -0.240
local terms energy: -337.294362
where:
bonds (distance) C4'-P energy: -67.831
bonds (distance) P-C4' energy: -65.263
flat angles C4'-P-C4' energy: -72.518
flat angles P-C4'-P energy: -42.584
tors. eta vs tors. theta energy: -89.099
Dist. restrs. and SS energy: 2.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1107.944345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.944345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.706796 (E_RNA)
where:
Base-Base interactions energy: -755.902
where: short stacking energy: -298.520
Base-Backbone interact. energy: -1.186
local terms energy: -355.619334
where:
bonds (distance) C4'-P energy: -61.919
bonds (distance) P-C4' energy: -73.216
flat angles C4'-P-C4' energy: -74.971
flat angles P-C4'-P energy: -58.636
tors. eta vs tors. theta energy: -86.877
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: 2
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1095.710567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.710567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.609434 (E_RNA)
where:
Base-Base interactions energy: -766.048
where: short stacking energy: -305.225
Base-Backbone interact. energy: -1.464
local terms energy: -331.097342
where:
bonds (distance) C4'-P energy: -59.517
bonds (distance) P-C4' energy: -65.031
flat angles C4'-P-C4' energy: -65.672
flat angles P-C4'-P energy: -49.033
tors. eta vs tors. theta energy: -91.844
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: 6, replica: 10
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1013.112436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.112436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.266153 (E_RNA)
where:
Base-Base interactions energy: -724.557
where: short stacking energy: -285.079
Base-Backbone interact. energy: 1.410
local terms energy: -300.119262
where:
bonds (distance) C4'-P energy: -56.614
bonds (distance) P-C4' energy: -61.022
flat angles C4'-P-C4' energy: -73.119
flat angles P-C4'-P energy: -43.782
tors. eta vs tors. theta energy: -65.582
Dist. restrs. and SS energy: 10.154 (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: 210
Temperature: 1.200000
Total energy: -971.420049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.420049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.484288 (E_RNA)
where:
Base-Base interactions energy: -657.774
where: short stacking energy: -272.301
Base-Backbone interact. energy: -0.765
local terms energy: -316.945587
where:
bonds (distance) C4'-P energy: -68.081
bonds (distance) P-C4' energy: -58.695
flat angles C4'-P-C4' energy: -71.606
flat angles P-C4'-P energy: -38.373
tors. eta vs tors. theta energy: -80.190
Dist. restrs. and SS energy: 4.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -936.619580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.619580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.640460 (E_RNA)
where:
Base-Base interactions energy: -644.151
where: short stacking energy: -252.776
Base-Backbone interact. energy: -2.147
local terms energy: -299.342412
where:
bonds (distance) C4'-P energy: -55.617
bonds (distance) P-C4' energy: -69.440
flat angles C4'-P-C4' energy: -63.067
flat angles P-C4'-P energy: -49.091
tors. eta vs tors. theta energy: -62.127
Dist. restrs. and SS energy: 9.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -904.585218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.585218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.567390 (E_RNA)
where:
Base-Base interactions energy: -624.280
where: short stacking energy: -240.188
Base-Backbone interact. energy: -1.323
local terms energy: -287.965169
where:
bonds (distance) C4'-P energy: -68.355
bonds (distance) P-C4' energy: -55.689
flat angles C4'-P-C4' energy: -67.931
flat angles P-C4'-P energy: -39.916
tors. eta vs tors. theta energy: -56.074
Dist. restrs. and SS energy: 8.982 (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: 7
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -875.830427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.830427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.340890 (E_RNA)
where:
Base-Base interactions energy: -602.445
where: short stacking energy: -232.952
Base-Backbone interact. energy: -0.090
local terms energy: -274.806149
where:
bonds (distance) C4'-P energy: -59.258
bonds (distance) P-C4' energy: -53.938
flat angles C4'-P-C4' energy: -58.863
flat angles P-C4'-P energy: -45.393
tors. eta vs tors. theta energy: -57.353
Dist. restrs. and SS energy: 1.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1259.744559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.744559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.119954 (E_RNA)
where:
Base-Base interactions energy: -899.975
where: short stacking energy: -376.029
Base-Backbone interact. energy: -3.547
local terms energy: -360.598305
where:
bonds (distance) C4'-P energy: -61.630
bonds (distance) P-C4' energy: -65.538
flat angles C4'-P-C4' energy: -78.227
flat angles P-C4'-P energy: -52.291
tors. eta vs tors. theta energy: -102.912
Dist. restrs. and SS energy: 4.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1196.845334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.845334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.871507 (E_RNA)
where:
Base-Base interactions energy: -837.978
where: short stacking energy: -342.746
Base-Backbone interact. energy: -1.888
local terms energy: -362.005844
where:
bonds (distance) C4'-P energy: -74.328
bonds (distance) P-C4' energy: -63.757
flat angles C4'-P-C4' energy: -77.173
flat angles P-C4'-P energy: -43.152
tors. eta vs tors. theta energy: -103.596
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: 3, replica: 6
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1170.074743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.074743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.220213 (E_RNA)
where:
Base-Base interactions energy: -807.770
where: short stacking energy: -320.742
Base-Backbone interact. energy: -0.990
local terms energy: -363.459845
where:
bonds (distance) C4'-P energy: -72.824
bonds (distance) P-C4' energy: -66.718
flat angles C4'-P-C4' energy: -76.308
flat angles P-C4'-P energy: -54.922
tors. eta vs tors. theta energy: -92.688
Dist. restrs. and SS energy: 2.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1146.829651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.829651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.151231 (E_RNA)
where:
Base-Base interactions energy: -808.735
where: short stacking energy: -324.937
Base-Backbone interact. energy: -1.378
local terms energy: -340.037932
where:
bonds (distance) C4'-P energy: -57.363
bonds (distance) P-C4' energy: -69.528
flat angles C4'-P-C4' energy: -80.422
flat angles P-C4'-P energy: -49.066
tors. eta vs tors. theta energy: -83.658
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: 1
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1080.972108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.972108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.468756 (E_RNA)
where:
Base-Base interactions energy: -756.784
where: short stacking energy: -314.668
Base-Backbone interact. energy: 1.472
local terms energy: -332.157283
where:
bonds (distance) C4'-P energy: -52.994
bonds (distance) P-C4' energy: -67.566
flat angles C4'-P-C4' energy: -71.757
flat angles P-C4'-P energy: -47.232
tors. eta vs tors. theta energy: -92.608
Dist. restrs. and SS energy: 6.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1021.723534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.723534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.204973 (E_RNA)
where:
Base-Base interactions energy: -707.834
where: short stacking energy: -279.180
Base-Backbone interact. energy: -2.700
local terms energy: -315.671585
where:
bonds (distance) C4'-P energy: -55.867
bonds (distance) P-C4' energy: -55.097
flat angles C4'-P-C4' energy: -75.087
flat angles P-C4'-P energy: -48.622
tors. eta vs tors. theta energy: -80.998
Dist. restrs. and SS energy: 4.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -957.752402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.752402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.972075 (E_RNA)
where:
Base-Base interactions energy: -670.595
where: short stacking energy: -273.427
Base-Backbone interact. energy: -0.927
local terms energy: -287.449230
where:
bonds (distance) C4'-P energy: -46.052
bonds (distance) P-C4' energy: -50.202
flat angles C4'-P-C4' energy: -69.947
flat angles P-C4'-P energy: -41.993
tors. eta vs tors. theta energy: -79.256
Dist. restrs. and SS energy: 1.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -934.129556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.129556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.587970 (E_RNA)
where:
Base-Base interactions energy: -669.899
where: short stacking energy: -251.394
Base-Backbone interact. energy: -1.461
local terms energy: -269.227953
where:
bonds (distance) C4'-P energy: -52.968
bonds (distance) P-C4' energy: -57.915
flat angles C4'-P-C4' energy: -61.992
flat angles P-C4'-P energy: -36.794
tors. eta vs tors. theta energy: -59.559
Dist. restrs. and SS energy: 6.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -914.608605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.608605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.794940 (E_RNA)
where:
Base-Base interactions energy: -666.985
where: short stacking energy: -253.025
Base-Backbone interact. energy: -0.482
local terms energy: -251.327104
where:
bonds (distance) C4'-P energy: -53.170
bonds (distance) P-C4' energy: -68.643
flat angles C4'-P-C4' energy: -42.952
flat angles P-C4'-P energy: -34.481
tors. eta vs tors. theta energy: -52.082
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: 10, replica: 7
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -865.442270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.442270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.366108 (E_RNA)
where:
Base-Base interactions energy: -602.241
where: short stacking energy: -227.486
Base-Backbone interact. energy: 4.723
local terms energy: -269.847431
where:
bonds (distance) C4'-P energy: -56.871
bonds (distance) P-C4' energy: -68.860
flat angles C4'-P-C4' energy: -54.058
flat angles P-C4'-P energy: -31.430
tors. eta vs tors. theta energy: -58.627
Dist. restrs. and SS energy: 1.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1227.298951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.298951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.359515 (E_RNA)
where:
Base-Base interactions energy: -868.724
where: short stacking energy: -350.461
Base-Backbone interact. energy: 1.387
local terms energy: -364.022170
where:
bonds (distance) C4'-P energy: -64.523
bonds (distance) P-C4' energy: -58.450
flat angles C4'-P-C4' energy: -83.121
flat angles P-C4'-P energy: -56.827
tors. eta vs tors. theta energy: -101.101
Dist. restrs. and SS energy: 4.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1252.369575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.369575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.931778 (E_RNA)
where:
Base-Base interactions energy: -893.782
where: short stacking energy: -363.407
Base-Backbone interact. energy: -2.350
local terms energy: -360.799377
where:
bonds (distance) C4'-P energy: -67.037
bonds (distance) P-C4' energy: -62.505
flat angles C4'-P-C4' energy: -80.541
flat angles P-C4'-P energy: -49.072
tors. eta vs tors. theta energy: -101.645
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: 6
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1167.868777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.868777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.428907 (E_RNA)
where:
Base-Base interactions energy: -809.895
where: short stacking energy: -344.929
Base-Backbone interact. energy: 1.676
local terms energy: -363.209917
where:
bonds (distance) C4'-P energy: -64.587
bonds (distance) P-C4' energy: -65.801
flat angles C4'-P-C4' energy: -75.648
flat angles P-C4'-P energy: -56.580
tors. eta vs tors. theta energy: -100.595
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: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1195.741368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.741368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.113958 (E_RNA)
where:
Base-Base interactions energy: -834.846
where: short stacking energy: -322.840
Base-Backbone interact. energy: -0.560
local terms energy: -363.707668
where:
bonds (distance) C4'-P energy: -65.592
bonds (distance) P-C4' energy: -64.782
flat angles C4'-P-C4' energy: -79.925
flat angles P-C4'-P energy: -56.406
tors. eta vs tors. theta energy: -97.002
Dist. restrs. and SS energy: 3.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1088.848676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.848676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.419447 (E_RNA)
where:
Base-Base interactions energy: -761.673
where: short stacking energy: -319.160
Base-Backbone interact. energy: -1.095
local terms energy: -330.650730
where:
bonds (distance) C4'-P energy: -57.438
bonds (distance) P-C4' energy: -66.403
flat angles C4'-P-C4' energy: -72.621
flat angles P-C4'-P energy: -39.181
tors. eta vs tors. theta energy: -95.007
Dist. restrs. and SS energy: 4.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1031.518391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.518391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.052291 (E_RNA)
where:
Base-Base interactions energy: -723.415
where: short stacking energy: -309.679
Base-Backbone interact. energy: 1.479
local terms energy: -316.116431
where:
bonds (distance) C4'-P energy: -61.206
bonds (distance) P-C4' energy: -63.514
flat angles C4'-P-C4' energy: -63.334
flat angles P-C4'-P energy: -49.946
tors. eta vs tors. theta energy: -78.116
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: 7, replica: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -958.950682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.950682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.199652 (E_RNA)
where:
Base-Base interactions energy: -672.238
where: short stacking energy: -268.339
Base-Backbone interact. energy: 0.898
local terms energy: -292.859881
where:
bonds (distance) C4'-P energy: -59.092
bonds (distance) P-C4' energy: -61.815
flat angles C4'-P-C4' energy: -66.697
flat angles P-C4'-P energy: -36.853
tors. eta vs tors. theta energy: -68.402
Dist. restrs. and SS energy: 5.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -912.290525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.290525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.304346 (E_RNA)
where:
Base-Base interactions energy: -653.166
where: short stacking energy: -270.211
Base-Backbone interact. energy: 0.716
local terms energy: -270.854415
where:
bonds (distance) C4'-P energy: -50.076
bonds (distance) P-C4' energy: -47.733
flat angles C4'-P-C4' energy: -63.996
flat angles P-C4'-P energy: -46.153
tors. eta vs tors. theta energy: -62.896
Dist. restrs. and SS energy: 11.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -914.984480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.984480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.843335 (E_RNA)
where:
Base-Base interactions energy: -651.457
where: short stacking energy: -256.562
Base-Backbone interact. energy: 0.504
local terms energy: -266.890304
where:
bonds (distance) C4'-P energy: -58.487
bonds (distance) P-C4' energy: -51.677
flat angles C4'-P-C4' energy: -60.800
flat angles P-C4'-P energy: -37.209
tors. eta vs tors. theta energy: -58.716
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: 10, replica: 7
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -882.543521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.543521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.993355 (E_RNA)
where:
Base-Base interactions energy: -615.319
where: short stacking energy: -240.390
Base-Backbone interact. energy: -0.960
local terms energy: -272.714194
where:
bonds (distance) C4'-P energy: -60.419
bonds (distance) P-C4' energy: -47.496
flat angles C4'-P-C4' energy: -68.197
flat angles P-C4'-P energy: -44.407
tors. eta vs tors. theta energy: -52.196
Dist. restrs. and SS energy: 6.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1238.024143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.024143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.070938 (E_RNA)
where:
Base-Base interactions energy: -874.189
where: short stacking energy: -361.657
Base-Backbone interact. energy: -2.578
local terms energy: -365.304142
where:
bonds (distance) C4'-P energy: -67.566
bonds (distance) P-C4' energy: -66.101
flat angles C4'-P-C4' energy: -77.839
flat angles P-C4'-P energy: -54.297
tors. eta vs tors. theta energy: -99.501
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: 2, replica: 6
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1194.943737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.943737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.570539 (E_RNA)
where:
Base-Base interactions energy: -831.729
where: short stacking energy: -350.784
Base-Backbone interact. energy: 2.274
local terms energy: -369.115793
where:
bonds (distance) C4'-P energy: -69.284
bonds (distance) P-C4' energy: -68.592
flat angles C4'-P-C4' energy: -83.651
flat angles P-C4'-P energy: -50.849
tors. eta vs tors. theta energy: -96.740
Dist. restrs. and SS energy: 3.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1241.201565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.201565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.810416 (E_RNA)
where:
Base-Base interactions energy: -866.403
where: short stacking energy: -343.029
Base-Backbone interact. energy: -0.285
local terms energy: -379.122353
where:
bonds (distance) C4'-P energy: -75.834
bonds (distance) P-C4' energy: -69.045
flat angles C4'-P-C4' energy: -81.802
flat angles P-C4'-P energy: -56.839
tors. eta vs tors. theta energy: -95.602
Dist. restrs. and SS energy: 4.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1190.487502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.487502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.768063 (E_RNA)
where:
Base-Base interactions energy: -844.793
where: short stacking energy: -334.356
Base-Backbone interact. energy: -0.687
local terms energy: -348.288227
where:
bonds (distance) C4'-P energy: -59.038
bonds (distance) P-C4' energy: -67.244
flat angles C4'-P-C4' energy: -72.745
flat angles P-C4'-P energy: -49.590
tors. eta vs tors. theta energy: -99.670
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: 5, replica: 1
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1115.408168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.408168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.255464 (E_RNA)
where:
Base-Base interactions energy: -785.858
where: short stacking energy: -321.282
Base-Backbone interact. energy: 2.885
local terms energy: -336.281876
where:
bonds (distance) C4'-P energy: -63.813
bonds (distance) P-C4' energy: -62.948
flat angles C4'-P-C4' energy: -61.481
flat angles P-C4'-P energy: -45.065
tors. eta vs tors. theta energy: -102.975
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: 6, replica: 10
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1006.910114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.910114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.547645 (E_RNA)
where:
Base-Base interactions energy: -681.624
where: short stacking energy: -275.148
Base-Backbone interact. energy: -2.152
local terms energy: -333.771189
where:
bonds (distance) C4'-P energy: -64.589
bonds (distance) P-C4' energy: -62.900
flat angles C4'-P-C4' energy: -75.606
flat angles P-C4'-P energy: -52.480
tors. eta vs tors. theta energy: -78.195
Dist. restrs. and SS energy: 10.638 (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: 213
Temperature: 1.200000
Total energy: -966.552799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.552799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.203002 (E_RNA)
where:
Base-Base interactions energy: -673.219
where: short stacking energy: -272.948
Base-Backbone interact. energy: -1.069
local terms energy: -303.914794
where:
bonds (distance) C4'-P energy: -57.603
bonds (distance) P-C4' energy: -68.808
flat angles C4'-P-C4' energy: -65.031
flat angles P-C4'-P energy: -46.867
tors. eta vs tors. theta energy: -65.607
Dist. restrs. and SS energy: 11.650 (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: 5
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -941.164189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.164189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.763835 (E_RNA)
where:
Base-Base interactions energy: -636.929
where: short stacking energy: -269.716
Base-Backbone interact. energy: 1.157
local terms energy: -309.992323
where:
bonds (distance) C4'-P energy: -56.589
bonds (distance) P-C4' energy: -75.318
flat angles C4'-P-C4' energy: -57.507
flat angles P-C4'-P energy: -46.697
tors. eta vs tors. theta energy: -73.882
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: 9, replica: 3
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -877.506566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.506566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.816828 (E_RNA)
where:
Base-Base interactions energy: -635.408
where: short stacking energy: -259.867
Base-Backbone interact. energy: 1.073
local terms energy: -250.481120
where:
bonds (distance) C4'-P energy: -40.805
bonds (distance) P-C4' energy: -64.109
flat angles C4'-P-C4' energy: -52.197
flat angles P-C4'-P energy: -37.650
tors. eta vs tors. theta energy: -55.721
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: 10, replica: 7
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -881.514579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.514579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.418369 (E_RNA)
where:
Base-Base interactions energy: -601.973
where: short stacking energy: -254.771
Base-Backbone interact. energy: -0.357
local terms energy: -284.088867
where:
bonds (distance) C4'-P energy: -60.003
bonds (distance) P-C4' energy: -58.431
flat angles C4'-P-C4' energy: -56.446
flat angles P-C4'-P energy: -45.515
tors. eta vs tors. theta energy: -63.694
Dist. restrs. and SS energy: 4.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1255.295894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.295894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.021921 (E_RNA)
where:
Base-Base interactions energy: -860.298
where: short stacking energy: -361.223
Base-Backbone interact. energy: -0.226
local terms energy: -399.498207
where:
bonds (distance) C4'-P energy: -71.572
bonds (distance) P-C4' energy: -75.562
flat angles C4'-P-C4' energy: -84.515
flat angles P-C4'-P energy: -53.395
tors. eta vs tors. theta energy: -114.454
Dist. restrs. and SS energy: 4.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1224.828687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.828687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.195583 (E_RNA)
where:
Base-Base interactions energy: -851.819
where: short stacking energy: -357.548
Base-Backbone interact. energy: -2.332
local terms energy: -375.044619
where:
bonds (distance) C4'-P energy: -71.832
bonds (distance) P-C4' energy: -67.440
flat angles C4'-P-C4' energy: -80.778
flat angles P-C4'-P energy: -55.995
tors. eta vs tors. theta energy: -99.000
Dist. restrs. and SS energy: 4.367 (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: 2
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1171.444120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.444120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.728138 (E_RNA)
where:
Base-Base interactions energy: -822.544
where: short stacking energy: -333.943
Base-Backbone interact. energy: 0.772
local terms energy: -352.955784
where:
bonds (distance) C4'-P energy: -69.822
bonds (distance) P-C4' energy: -60.053
flat angles C4'-P-C4' energy: -70.308
flat angles P-C4'-P energy: -53.160
tors. eta vs tors. theta energy: -99.614
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: 4, replica: 9
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1186.820984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.820984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.949875 (E_RNA)
where:
Base-Base interactions energy: -818.041
where: short stacking energy: -331.687
Base-Backbone interact. energy: -1.640
local terms energy: -370.268728
where:
bonds (distance) C4'-P energy: -61.413
bonds (distance) P-C4' energy: -72.992
flat angles C4'-P-C4' energy: -79.822
flat angles P-C4'-P energy: -52.889
tors. eta vs tors. theta energy: -103.152
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: 5, replica: 1
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1084.265598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.265598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.899945 (E_RNA)
where:
Base-Base interactions energy: -744.984
where: short stacking energy: -294.337
Base-Backbone interact. energy: -1.902
local terms energy: -342.013636
where:
bonds (distance) C4'-P energy: -63.441
bonds (distance) P-C4' energy: -72.815
flat angles C4'-P-C4' energy: -67.156
flat angles P-C4'-P energy: -48.711
tors. eta vs tors. theta energy: -89.891
Dist. restrs. and SS energy: 4.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1009.200927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.200927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.300166 (E_RNA)
where:
Base-Base interactions energy: -707.636
where: short stacking energy: -291.977
Base-Backbone interact. energy: -1.501
local terms energy: -302.163086
where:
bonds (distance) C4'-P energy: -66.913
bonds (distance) P-C4' energy: -51.557
flat angles C4'-P-C4' energy: -69.021
flat angles P-C4'-P energy: -36.003
tors. eta vs tors. theta energy: -78.669
Dist. restrs. and SS energy: 2.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -951.111686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.111686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.039028 (E_RNA)
where:
Base-Base interactions energy: -654.380
where: short stacking energy: -261.118
Base-Backbone interact. energy: -1.055
local terms energy: -299.603439
where:
bonds (distance) C4'-P energy: -60.317
bonds (distance) P-C4' energy: -60.245
flat angles C4'-P-C4' energy: -57.686
flat angles P-C4'-P energy: -50.897
tors. eta vs tors. theta energy: -70.459
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: 5
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -936.277239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.277239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.359378 (E_RNA)
where:
Base-Base interactions energy: -631.735
where: short stacking energy: -254.404
Base-Backbone interact. energy: -1.356
local terms energy: -305.268008
where:
bonds (distance) C4'-P energy: -62.870
bonds (distance) P-C4' energy: -69.885
flat angles C4'-P-C4' energy: -70.749
flat angles P-C4'-P energy: -32.332
tors. eta vs tors. theta energy: -69.432
Dist. restrs. and SS energy: 2.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -891.305349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.305349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.470686 (E_RNA)
where:
Base-Base interactions energy: -619.040
where: short stacking energy: -252.546
Base-Backbone interact. energy: -1.179
local terms energy: -273.251664
where:
bonds (distance) C4'-P energy: -61.860
bonds (distance) P-C4' energy: -58.993
flat angles C4'-P-C4' energy: -53.707
flat angles P-C4'-P energy: -35.551
tors. eta vs tors. theta energy: -63.141
Dist. restrs. and SS energy: 2.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -821.023682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.023682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.270701 (E_RNA)
where:
Base-Base interactions energy: -559.747
where: short stacking energy: -207.351
Base-Backbone interact. energy: 0.912
local terms energy: -269.436063
where:
bonds (distance) C4'-P energy: -57.248
bonds (distance) P-C4' energy: -59.760
flat angles C4'-P-C4' energy: -58.849
flat angles P-C4'-P energy: -43.296
tors. eta vs tors. theta energy: -50.284
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: 1, replica: 8
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1233.187421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.187421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.779523 (E_RNA)
where:
Base-Base interactions energy: -851.857
where: short stacking energy: -363.791
Base-Backbone interact. energy: -2.168
local terms energy: -381.755294
where:
bonds (distance) C4'-P energy: -85.523
bonds (distance) P-C4' energy: -60.963
flat angles C4'-P-C4' energy: -82.345
flat angles P-C4'-P energy: -49.807
tors. eta vs tors. theta energy: -103.118
Dist. restrs. and SS energy: 2.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1204.142106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.142106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.858989 (E_RNA)
where:
Base-Base interactions energy: -847.009
where: short stacking energy: -349.524
Base-Backbone interact. energy: -4.050
local terms energy: -358.800254
where:
bonds (distance) C4'-P energy: -63.845
bonds (distance) P-C4' energy: -70.644
flat angles C4'-P-C4' energy: -75.083
flat angles P-C4'-P energy: -50.055
tors. eta vs tors. theta energy: -99.173
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: 3, replica: 2
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1171.372927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.372927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.191737 (E_RNA)
where:
Base-Base interactions energy: -819.674
where: short stacking energy: -337.261
Base-Backbone interact. energy: -2.024
local terms energy: -353.494327
where:
bonds (distance) C4'-P energy: -59.773
bonds (distance) P-C4' energy: -62.659
flat angles C4'-P-C4' energy: -71.005
flat angles P-C4'-P energy: -57.098
tors. eta vs tors. theta energy: -102.959
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: 4, replica: 9
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1191.329038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.329038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.710548 (E_RNA)
where:
Base-Base interactions energy: -844.624
where: short stacking energy: -337.231
Base-Backbone interact. energy: -0.733
local terms energy: -351.353260
where:
bonds (distance) C4'-P energy: -63.861
bonds (distance) P-C4' energy: -69.424
flat angles C4'-P-C4' energy: -78.488
flat angles P-C4'-P energy: -47.072
tors. eta vs tors. theta energy: -92.508
Dist. restrs. and SS energy: 5.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1098.760417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.760417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.818573 (E_RNA)
where:
Base-Base interactions energy: -773.933
where: short stacking energy: -307.352
Base-Backbone interact. energy: -4.217
local terms energy: -325.668304
where:
bonds (distance) C4'-P energy: -54.680
bonds (distance) P-C4' energy: -62.838
flat angles C4'-P-C4' energy: -75.601
flat angles P-C4'-P energy: -52.327
tors. eta vs tors. theta energy: -80.222
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: 6, replica: 10
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1038.622479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.622479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.017041 (E_RNA)
where:
Base-Base interactions energy: -721.576
where: short stacking energy: -290.969
Base-Backbone interact. energy: -0.891
local terms energy: -316.549999
where:
bonds (distance) C4'-P energy: -61.672
bonds (distance) P-C4' energy: -59.578
flat angles C4'-P-C4' energy: -56.464
flat angles P-C4'-P energy: -44.076
tors. eta vs tors. theta energy: -94.761
Dist. restrs. and SS energy: 0.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -959.187077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.187077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.774666 (E_RNA)
where:
Base-Base interactions energy: -668.127
where: short stacking energy: -267.504
Base-Backbone interact. energy: -1.323
local terms energy: -292.324079
where:
bonds (distance) C4'-P energy: -62.091
bonds (distance) P-C4' energy: -62.558
flat angles C4'-P-C4' energy: -67.306
flat angles P-C4'-P energy: -43.806
tors. eta vs tors. theta energy: -56.563
Dist. restrs. and SS energy: 2.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -928.294196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.294196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.556132 (E_RNA)
where:
Base-Base interactions energy: -656.768
where: short stacking energy: -260.618
Base-Backbone interact. energy: -1.937
local terms energy: -272.851577
where:
bonds (distance) C4'-P energy: -53.050
bonds (distance) P-C4' energy: -55.578
flat angles C4'-P-C4' energy: -58.895
flat angles P-C4'-P energy: -42.809
tors. eta vs tors. theta energy: -62.520
Dist. restrs. and SS energy: 3.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -895.164902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.164902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.610728 (E_RNA)
where:
Base-Base interactions energy: -621.842
where: short stacking energy: -245.774
Base-Backbone interact. energy: -0.117
local terms energy: -274.651582
where:
bonds (distance) C4'-P energy: -61.323
bonds (distance) P-C4' energy: -64.480
flat angles C4'-P-C4' energy: -62.311
flat angles P-C4'-P energy: -29.912
tors. eta vs tors. theta energy: -56.626
Dist. restrs. and SS energy: 1.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -828.539264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.539264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.289956 (E_RNA)
where:
Base-Base interactions energy: -607.102
where: short stacking energy: -214.662
Base-Backbone interact. energy: -1.938
local terms energy: -230.249650
where:
bonds (distance) C4'-P energy: -44.338
bonds (distance) P-C4' energy: -59.897
flat angles C4'-P-C4' energy: -50.308
flat angles P-C4'-P energy: -31.707
tors. eta vs tors. theta energy: -43.999
Dist. restrs. and SS energy: 10.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1230.857817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.857817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.685264 (E_RNA)
where:
Base-Base interactions energy: -869.330
where: short stacking energy: -360.371
Base-Backbone interact. energy: -2.485
local terms energy: -362.869953
where:
bonds (distance) C4'-P energy: -71.887
bonds (distance) P-C4' energy: -70.962
flat angles C4'-P-C4' energy: -76.817
flat angles P-C4'-P energy: -44.923
tors. eta vs tors. theta energy: -98.281
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: 2, replica: 8
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1190.675317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.675317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.082801 (E_RNA)
where:
Base-Base interactions energy: -827.255
where: short stacking energy: -349.863
Base-Backbone interact. energy: -2.404
local terms energy: -363.424019
where:
bonds (distance) C4'-P energy: -57.176
bonds (distance) P-C4' energy: -69.564
flat angles C4'-P-C4' energy: -78.592
flat angles P-C4'-P energy: -58.723
tors. eta vs tors. theta energy: -99.368
Dist. restrs. and SS energy: 2.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1179.800105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.800105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.391368 (E_RNA)
where:
Base-Base interactions energy: -816.014
where: short stacking energy: -328.473
Base-Backbone interact. energy: -2.458
local terms energy: -365.919813
where:
bonds (distance) C4'-P energy: -71.556
bonds (distance) P-C4' energy: -70.142
flat angles C4'-P-C4' energy: -79.298
flat angles P-C4'-P energy: -50.672
tors. eta vs tors. theta energy: -94.253
Dist. restrs. and SS energy: 4.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1155.822571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.822571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.423988 (E_RNA)
where:
Base-Base interactions energy: -809.542
where: short stacking energy: -329.478
Base-Backbone interact. energy: -1.181
local terms energy: -351.700655
where:
bonds (distance) C4'-P energy: -71.144
bonds (distance) P-C4' energy: -59.098
flat angles C4'-P-C4' energy: -73.374
flat angles P-C4'-P energy: -54.992
tors. eta vs tors. theta energy: -93.092
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: 5, replica: 1
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1089.549050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.549050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.142944 (E_RNA)
where:
Base-Base interactions energy: -758.481
where: short stacking energy: -307.347
Base-Backbone interact. energy: -1.315
local terms energy: -333.347311
where:
bonds (distance) C4'-P energy: -70.924
bonds (distance) P-C4' energy: -64.209
flat angles C4'-P-C4' energy: -67.274
flat angles P-C4'-P energy: -40.370
tors. eta vs tors. theta energy: -90.570
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: 6, replica: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1010.355021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.355021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.099100 (E_RNA)
where:
Base-Base interactions energy: -685.948
where: short stacking energy: -288.260
Base-Backbone interact. energy: -2.048
local terms energy: -324.103344
where:
bonds (distance) C4'-P energy: -69.115
bonds (distance) P-C4' energy: -64.407
flat angles C4'-P-C4' energy: -72.951
flat angles P-C4'-P energy: -44.055
tors. eta vs tors. theta energy: -73.576
Dist. restrs. and SS energy: 1.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -957.239417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.239417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.792213 (E_RNA)
where:
Base-Base interactions energy: -655.775
where: short stacking energy: -261.602
Base-Backbone interact. energy: -2.622
local terms energy: -302.394959
where:
bonds (distance) C4'-P energy: -62.391
bonds (distance) P-C4' energy: -62.794
flat angles C4'-P-C4' energy: -67.916
flat angles P-C4'-P energy: -44.809
tors. eta vs tors. theta energy: -64.486
Dist. restrs. and SS energy: 3.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -952.461288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.461288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.159946 (E_RNA)
where:
Base-Base interactions energy: -660.736
where: short stacking energy: -288.050
Base-Backbone interact. energy: -1.624
local terms energy: -292.800103
where:
bonds (distance) C4'-P energy: -50.740
bonds (distance) P-C4' energy: -64.248
flat angles C4'-P-C4' energy: -67.225
flat angles P-C4'-P energy: -39.692
tors. eta vs tors. theta energy: -70.896
Dist. restrs. and SS energy: 2.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -859.022033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.022033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.527005 (E_RNA)
where:
Base-Base interactions energy: -612.213
where: short stacking energy: -252.978
Base-Backbone interact. energy: 0.197
local terms energy: -251.510928
where:
bonds (distance) C4'-P energy: -39.899
bonds (distance) P-C4' energy: -64.014
flat angles C4'-P-C4' energy: -54.676
flat angles P-C4'-P energy: -24.162
tors. eta vs tors. theta energy: -68.759
Dist. restrs. and SS energy: 4.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -861.159436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.159436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.959743 (E_RNA)
where:
Base-Base interactions energy: -594.054
where: short stacking energy: -231.168
Base-Backbone interact. energy: 0.331
local terms energy: -274.237501
where:
bonds (distance) C4'-P energy: -60.155
bonds (distance) P-C4' energy: -49.071
flat angles C4'-P-C4' energy: -75.637
flat angles P-C4'-P energy: -34.421
tors. eta vs tors. theta energy: -54.954
Dist. restrs. and SS energy: 6.800 (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: 6
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1230.496435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.496435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.357152 (E_RNA)
where:
Base-Base interactions energy: -857.601
where: short stacking energy: -339.400
Base-Backbone interact. energy: -1.379
local terms energy: -375.377698
where:
bonds (distance) C4'-P energy: -66.904
bonds (distance) P-C4' energy: -75.194
flat angles C4'-P-C4' energy: -87.529
flat angles P-C4'-P energy: -49.302
tors. eta vs tors. theta energy: -96.448
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: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1209.479377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.479377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.297625 (E_RNA)
where:
Base-Base interactions energy: -841.237
where: short stacking energy: -365.082
Base-Backbone interact. energy: -1.035
local terms energy: -373.025024
where:
bonds (distance) C4'-P energy: -61.735
bonds (distance) P-C4' energy: -70.408
flat angles C4'-P-C4' energy: -82.793
flat angles P-C4'-P energy: -50.763
tors. eta vs tors. theta energy: -107.326
Dist. restrs. and SS energy: 5.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1162.345938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.345938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.862515 (E_RNA)
where:
Base-Base interactions energy: -797.076
where: short stacking energy: -334.121
Base-Backbone interact. energy: -0.973
local terms energy: -365.812848
where:
bonds (distance) C4'-P energy: -61.964
bonds (distance) P-C4' energy: -67.551
flat angles C4'-P-C4' energy: -82.415
flat angles P-C4'-P energy: -56.090
tors. eta vs tors. theta energy: -97.792
Dist. restrs. and SS energy: 1.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1162.507410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.507410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.165919 (E_RNA)
where:
Base-Base interactions energy: -809.920
where: short stacking energy: -351.047
Base-Backbone interact. energy: -0.517
local terms energy: -355.728006
where:
bonds (distance) C4'-P energy: -62.951
bonds (distance) P-C4' energy: -66.251
flat angles C4'-P-C4' energy: -73.088
flat angles P-C4'-P energy: -48.124
tors. eta vs tors. theta energy: -105.314
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: 5, replica: 1
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1103.351095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.351095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.496915 (E_RNA)
where:
Base-Base interactions energy: -760.658
where: short stacking energy: -321.056
Base-Backbone interact. energy: 3.083
local terms energy: -349.922627
where:
bonds (distance) C4'-P energy: -64.921
bonds (distance) P-C4' energy: -63.771
flat angles C4'-P-C4' energy: -80.342
flat angles P-C4'-P energy: -48.533
tors. eta vs tors. theta energy: -92.355
Dist. restrs. and SS energy: 4.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1023.690642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.690642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.076315 (E_RNA)
where:
Base-Base interactions energy: -695.299
where: short stacking energy: -281.643
Base-Backbone interact. energy: -3.563
local terms energy: -326.214094
where:
bonds (distance) C4'-P energy: -67.877
bonds (distance) P-C4' energy: -61.283
flat angles C4'-P-C4' energy: -69.232
flat angles P-C4'-P energy: -46.576
tors. eta vs tors. theta energy: -81.246
Dist. restrs. and SS energy: 1.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -942.482567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.482567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.503496 (E_RNA)
where:
Base-Base interactions energy: -648.713
where: short stacking energy: -255.751
Base-Backbone interact. energy: 1.133
local terms energy: -297.924158
where:
bonds (distance) C4'-P energy: -59.164
bonds (distance) P-C4' energy: -65.525
flat angles C4'-P-C4' energy: -65.279
flat angles P-C4'-P energy: -44.409
tors. eta vs tors. theta energy: -63.547
Dist. restrs. and SS energy: 3.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -928.284818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.284818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.447045 (E_RNA)
where:
Base-Base interactions energy: -661.420
where: short stacking energy: -256.521
Base-Backbone interact. energy: 4.623
local terms energy: -275.649902
where:
bonds (distance) C4'-P energy: -57.480
bonds (distance) P-C4' energy: -61.907
flat angles C4'-P-C4' energy: -48.357
flat angles P-C4'-P energy: -44.472
tors. eta vs tors. theta energy: -63.435
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: 9, replica: 3
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -874.331156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.331156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.156625 (E_RNA)
where:
Base-Base interactions energy: -612.677
where: short stacking energy: -243.143
Base-Backbone interact. energy: -1.651
local terms energy: -267.828341
where:
bonds (distance) C4'-P energy: -50.172
bonds (distance) P-C4' energy: -63.093
flat angles C4'-P-C4' energy: -59.092
flat angles P-C4'-P energy: -42.408
tors. eta vs tors. theta energy: -53.065
Dist. restrs. and SS energy: 7.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -865.323480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.323480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.090423 (E_RNA)
where:
Base-Base interactions energy: -592.427
where: short stacking energy: -238.600
Base-Backbone interact. energy: 1.718
local terms energy: -278.380648
where:
bonds (distance) C4'-P energy: -59.232
bonds (distance) P-C4' energy: -44.237
flat angles C4'-P-C4' energy: -61.303
flat angles P-C4'-P energy: -42.953
tors. eta vs tors. theta energy: -70.657
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: 1, replica: 9
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1239.019826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.019826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.146066 (E_RNA)
where:
Base-Base interactions energy: -874.069
where: short stacking energy: -358.706
Base-Backbone interact. energy: -1.021
local terms energy: -370.056035
where:
bonds (distance) C4'-P energy: -65.209
bonds (distance) P-C4' energy: -73.742
flat angles C4'-P-C4' energy: -81.170
flat angles P-C4'-P energy: -47.793
tors. eta vs tors. theta energy: -102.143
Dist. restrs. and SS energy: 6.126 (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: 6
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1204.154249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.154249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.190969 (E_RNA)
where:
Base-Base interactions energy: -826.524
where: short stacking energy: -369.079
Base-Backbone interact. energy: -2.890
local terms energy: -379.777429
where:
bonds (distance) C4'-P energy: -81.151
bonds (distance) P-C4' energy: -66.024
flat angles C4'-P-C4' energy: -76.962
flat angles P-C4'-P energy: -49.748
tors. eta vs tors. theta energy: -105.893
Dist. restrs. and SS energy: 5.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1179.465435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.465435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.568535 (E_RNA)
where:
Base-Base interactions energy: -804.937
where: short stacking energy: -334.202
Base-Backbone interact. energy: -2.848
local terms energy: -374.783668
where:
bonds (distance) C4'-P energy: -77.497
bonds (distance) P-C4' energy: -71.721
flat angles C4'-P-C4' energy: -79.273
flat angles P-C4'-P energy: -52.694
tors. eta vs tors. theta energy: -93.598
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: 8
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1122.146382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.146382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.554998 (E_RNA)
where:
Base-Base interactions energy: -776.785
where: short stacking energy: -316.292
Base-Backbone interact. energy: -2.579
local terms energy: -344.191124
where:
bonds (distance) C4'-P energy: -61.444
bonds (distance) P-C4' energy: -66.126
flat angles C4'-P-C4' energy: -80.712
flat angles P-C4'-P energy: -41.455
tors. eta vs tors. theta energy: -94.453
Dist. restrs. and SS energy: 1.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1074.786212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.786212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.475430 (E_RNA)
where:
Base-Base interactions energy: -747.900
where: short stacking energy: -313.670
Base-Backbone interact. energy: -1.843
local terms energy: -334.732653
where:
bonds (distance) C4'-P energy: -61.703
bonds (distance) P-C4' energy: -66.060
flat angles C4'-P-C4' energy: -76.817
flat angles P-C4'-P energy: -48.442
tors. eta vs tors. theta energy: -81.709
Dist. restrs. and SS energy: 9.689 (S_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: 218
Temperature: 1.150000
Total energy: -1030.437489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.437489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.794395 (E_RNA)
where:
Base-Base interactions energy: -708.388
where: short stacking energy: -289.452
Base-Backbone interact. energy: -0.523
local terms energy: -323.883390
where:
bonds (distance) C4'-P energy: -62.587
bonds (distance) P-C4' energy: -68.086
flat angles C4'-P-C4' energy: -62.869
flat angles P-C4'-P energy: -46.793
tors. eta vs tors. theta energy: -83.548
Dist. restrs. and SS energy: 2.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -964.189406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.189406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.234139 (E_RNA)
where:
Base-Base interactions energy: -644.995
where: short stacking energy: -265.598
Base-Backbone interact. energy: -2.602
local terms energy: -318.636802
where:
bonds (distance) C4'-P energy: -54.702
bonds (distance) P-C4' energy: -73.412
flat angles C4'-P-C4' energy: -69.639
flat angles P-C4'-P energy: -52.416
tors. eta vs tors. theta energy: -68.468
Dist. restrs. and SS energy: 2.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -943.860748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.860748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.303385 (E_RNA)
where:
Base-Base interactions energy: -663.973
where: short stacking energy: -275.595
Base-Backbone interact. energy: -1.280
local terms energy: -282.049788
where:
bonds (distance) C4'-P energy: -51.676
bonds (distance) P-C4' energy: -57.738
flat angles C4'-P-C4' energy: -73.157
flat angles P-C4'-P energy: -38.315
tors. eta vs tors. theta energy: -61.165
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: 9, replica: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -867.654528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.654528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.117039 (E_RNA)
where:
Base-Base interactions energy: -615.873
where: short stacking energy: -247.136
Base-Backbone interact. energy: -2.412
local terms energy: -251.832477
where:
bonds (distance) C4'-P energy: -50.522
bonds (distance) P-C4' energy: -52.097
flat angles C4'-P-C4' energy: -51.982
flat angles P-C4'-P energy: -37.420
tors. eta vs tors. theta energy: -59.811
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: 10, replica: 3
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -827.910404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.910404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.367334 (E_RNA)
where:
Base-Base interactions energy: -579.503
where: short stacking energy: -210.808
Base-Backbone interact. energy: 1.147
local terms energy: -253.011271
where:
bonds (distance) C4'-P energy: -55.517
bonds (distance) P-C4' energy: -53.325
flat angles C4'-P-C4' energy: -60.328
flat angles P-C4'-P energy: -36.909
tors. eta vs tors. theta energy: -46.931
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: 1, replica: 9
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1238.585623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.585623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.242639 (E_RNA)
where:
Base-Base interactions energy: -866.243
where: short stacking energy: -353.978
Base-Backbone interact. energy: -3.163
local terms energy: -374.835895
where:
bonds (distance) C4'-P energy: -76.541
bonds (distance) P-C4' energy: -67.705
flat angles C4'-P-C4' energy: -83.234
flat angles P-C4'-P energy: -43.619
tors. eta vs tors. theta energy: -103.738
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: 2, replica: 6
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1187.372065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.372065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.066604 (E_RNA)
where:
Base-Base interactions energy: -811.868
where: short stacking energy: -352.466
Base-Backbone interact. energy: -2.244
local terms energy: -378.954601
where:
bonds (distance) C4'-P energy: -78.815
bonds (distance) P-C4' energy: -65.288
flat angles C4'-P-C4' energy: -70.629
flat angles P-C4'-P energy: -59.955
tors. eta vs tors. theta energy: -104.268
Dist. restrs. and SS energy: 5.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1201.919012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.919012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.892298 (E_RNA)
where:
Base-Base interactions energy: -837.469
where: short stacking energy: -329.937
Base-Backbone interact. energy: -1.220
local terms energy: -366.204095
where:
bonds (distance) C4'-P energy: -71.745
bonds (distance) P-C4' energy: -67.627
flat angles C4'-P-C4' energy: -71.197
flat angles P-C4'-P energy: -54.662
tors. eta vs tors. theta energy: -100.973
Dist. restrs. and SS energy: 2.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1119.119402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.119402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.420214 (E_RNA)
where:
Base-Base interactions energy: -785.521
where: short stacking energy: -326.536
Base-Backbone interact. energy: -3.110
local terms energy: -333.789394
where:
bonds (distance) C4'-P energy: -51.012
bonds (distance) P-C4' energy: -67.233
flat angles C4'-P-C4' energy: -74.792
flat angles P-C4'-P energy: -51.795
tors. eta vs tors. theta energy: -88.957
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: 219
Temperature: 1.100000
Total energy: -1090.640498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.640498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.908403 (E_RNA)
where:
Base-Base interactions energy: -777.355
where: short stacking energy: -302.514
Base-Backbone interact. energy: -4.096
local terms energy: -313.457741
where:
bonds (distance) C4'-P energy: -56.629
bonds (distance) P-C4' energy: -68.551
flat angles C4'-P-C4' energy: -64.736
flat angles P-C4'-P energy: -41.296
tors. eta vs tors. theta energy: -82.245
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: 6, replica: 10
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1015.924949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.924949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.557829 (E_RNA)
where:
Base-Base interactions energy: -709.144
where: short stacking energy: -283.540
Base-Backbone interact. energy: 1.584
local terms energy: -312.998088
where:
bonds (distance) C4'-P energy: -66.641
bonds (distance) P-C4' energy: -53.033
flat angles C4'-P-C4' energy: -70.230
flat angles P-C4'-P energy: -46.152
tors. eta vs tors. theta energy: -76.942
Dist. restrs. and SS energy: 4.633 (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: 219
Temperature: 1.200000
Total energy: -980.951447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.951447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.613946 (E_RNA)
where:
Base-Base interactions energy: -707.397
where: short stacking energy: -306.526
Base-Backbone interact. energy: -1.189
local terms energy: -285.027794
where:
bonds (distance) C4'-P energy: -67.094
bonds (distance) P-C4' energy: -47.508
flat angles C4'-P-C4' energy: -58.810
flat angles P-C4'-P energy: -29.090
tors. eta vs tors. theta energy: -82.526
Dist. restrs. and SS energy: 12.662 (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: 5
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -952.382583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.382583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.313434 (E_RNA)
where:
Base-Base interactions energy: -669.862
where: short stacking energy: -256.992
Base-Backbone interact. energy: -2.255
local terms energy: -282.195858
where:
bonds (distance) C4'-P energy: -47.999
bonds (distance) P-C4' energy: -63.701
flat angles C4'-P-C4' energy: -60.791
flat angles P-C4'-P energy: -40.317
tors. eta vs tors. theta energy: -69.388
Dist. restrs. and SS energy: 1.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -880.803032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.803032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.469797 (E_RNA)
where:
Base-Base interactions energy: -622.875
where: short stacking energy: -243.947
Base-Backbone interact. energy: -1.458
local terms energy: -258.136868
where:
bonds (distance) C4'-P energy: -63.581
bonds (distance) P-C4' energy: -52.451
flat angles C4'-P-C4' energy: -47.487
flat angles P-C4'-P energy: -35.840
tors. eta vs tors. theta energy: -58.777
Dist. restrs. and SS energy: 1.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -827.837242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.837242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.389460 (E_RNA)
where:
Base-Base interactions energy: -612.558
where: short stacking energy: -238.330
Base-Backbone interact. energy: -1.069
local terms energy: -220.762470
where:
bonds (distance) C4'-P energy: -36.632
bonds (distance) P-C4' energy: -44.591
flat angles C4'-P-C4' energy: -52.668
flat angles P-C4'-P energy: -34.160
tors. eta vs tors. theta energy: -52.712
Dist. restrs. and SS energy: 6.552 (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: 9
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1252.458591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.458591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.902834 (E_RNA)
where:
Base-Base interactions energy: -869.946
where: short stacking energy: -357.636
Base-Backbone interact. energy: -2.607
local terms energy: -384.349684
where:
bonds (distance) C4'-P energy: -65.894
bonds (distance) P-C4' energy: -72.254
flat angles C4'-P-C4' energy: -83.413
flat angles P-C4'-P energy: -59.521
tors. eta vs tors. theta energy: -103.268
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: 2, replica: 6
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1210.553364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.553364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.267902 (E_RNA)
where:
Base-Base interactions energy: -850.506
where: short stacking energy: -343.397
Base-Backbone interact. energy: -2.180
local terms energy: -362.581229
where:
bonds (distance) C4'-P energy: -62.911
bonds (distance) P-C4' energy: -73.847
flat angles C4'-P-C4' energy: -70.148
flat angles P-C4'-P energy: -60.920
tors. eta vs tors. theta energy: -94.755
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: 3, replica: 2
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1193.969650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.969650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.855774 (E_RNA)
where:
Base-Base interactions energy: -836.471
where: short stacking energy: -337.720
Base-Backbone interact. energy: -2.636
local terms energy: -358.748867
where:
bonds (distance) C4'-P energy: -56.606
bonds (distance) P-C4' energy: -64.259
flat angles C4'-P-C4' energy: -83.632
flat angles P-C4'-P energy: -51.811
tors. eta vs tors. theta energy: -102.441
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: 4, replica: 8
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1156.673193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.673193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.322078 (E_RNA)
where:
Base-Base interactions energy: -812.149
where: short stacking energy: -337.108
Base-Backbone interact. energy: -3.430
local terms energy: -349.742445
where:
bonds (distance) C4'-P energy: -71.504
bonds (distance) P-C4' energy: -57.720
flat angles C4'-P-C4' energy: -72.242
flat angles P-C4'-P energy: -47.523
tors. eta vs tors. theta energy: -100.753
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: 5, replica: 1
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1101.175688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.175688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.471665 (E_RNA)
where:
Base-Base interactions energy: -784.104
where: short stacking energy: -326.734
Base-Backbone interact. energy: 1.016
local terms energy: -321.383859
where:
bonds (distance) C4'-P energy: -49.902
bonds (distance) P-C4' energy: -71.415
flat angles C4'-P-C4' energy: -66.624
flat angles P-C4'-P energy: -47.402
tors. eta vs tors. theta energy: -86.040
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: 6, replica: 10
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1045.813985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.813985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.820089 (E_RNA)
where:
Base-Base interactions energy: -729.396
where: short stacking energy: -306.431
Base-Backbone interact. energy: -2.874
local terms energy: -316.549679
where:
bonds (distance) C4'-P energy: -59.772
bonds (distance) P-C4' energy: -64.284
flat angles C4'-P-C4' energy: -60.696
flat angles P-C4'-P energy: -38.763
tors. eta vs tors. theta energy: -93.034
Dist. restrs. and SS energy: 3.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -968.401081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.401081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.444641 (E_RNA)
where:
Base-Base interactions energy: -669.469
where: short stacking energy: -264.065
Base-Backbone interact. energy: 3.431
local terms energy: -310.406120
where:
bonds (distance) C4'-P energy: -62.022
bonds (distance) P-C4' energy: -67.475
flat angles C4'-P-C4' energy: -67.360
flat angles P-C4'-P energy: -39.852
tors. eta vs tors. theta energy: -73.697
Dist. restrs. and SS energy: 8.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -957.825316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.825316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.281857 (E_RNA)
where:
Base-Base interactions energy: -686.033
where: short stacking energy: -273.246
Base-Backbone interact. energy: 1.217
local terms energy: -277.465585
where:
bonds (distance) C4'-P energy: -49.536
bonds (distance) P-C4' energy: -44.613
flat angles C4'-P-C4' energy: -70.807
flat angles P-C4'-P energy: -45.679
tors. eta vs tors. theta energy: -66.831
Dist. restrs. and SS energy: 4.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -919.551977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.551977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.186088 (E_RNA)
where:
Base-Base interactions energy: -628.551
where: short stacking energy: -249.920
Base-Backbone interact. energy: -2.048
local terms energy: -294.587279
where:
bonds (distance) C4'-P energy: -64.128
bonds (distance) P-C4' energy: -53.835
flat angles C4'-P-C4' energy: -64.218
flat angles P-C4'-P energy: -39.499
tors. eta vs tors. theta energy: -72.907
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: 10, replica: 3
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -834.623277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.623277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.003796 (E_RNA)
where:
Base-Base interactions energy: -574.627
where: short stacking energy: -240.838
Base-Backbone interact. energy: -2.944
local terms energy: -265.432256
where:
bonds (distance) C4'-P energy: -56.605
bonds (distance) P-C4' energy: -60.950
flat angles C4'-P-C4' energy: -53.590
flat angles P-C4'-P energy: -35.183
tors. eta vs tors. theta energy: -59.103
Dist. restrs. and SS energy: 8.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1242.536258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.536258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.109516 (E_RNA)
where:
Base-Base interactions energy: -864.346
where: short stacking energy: -361.042
Base-Backbone interact. energy: 0.946
local terms energy: -385.709639
where:
bonds (distance) C4'-P energy: -71.482
bonds (distance) P-C4' energy: -68.785
flat angles C4'-P-C4' energy: -82.209
flat angles P-C4'-P energy: -58.271
tors. eta vs tors. theta energy: -104.963
Dist. restrs. and SS energy: 6.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1201.225269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.225269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.979652 (E_RNA)
where:
Base-Base interactions energy: -841.542
where: short stacking energy: -341.953
Base-Backbone interact. energy: -1.370
local terms energy: -361.067293
where:
bonds (distance) C4'-P energy: -67.095
bonds (distance) P-C4' energy: -68.136
flat angles C4'-P-C4' energy: -79.991
flat angles P-C4'-P energy: -51.838
tors. eta vs tors. theta energy: -94.007
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: 3, replica: 6
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1195.146185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.146185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.356658 (E_RNA)
where:
Base-Base interactions energy: -818.153
where: short stacking energy: -341.493
Base-Backbone interact. energy: -1.832
local terms energy: -379.371102
where:
bonds (distance) C4'-P energy: -65.161
bonds (distance) P-C4' energy: -77.000
flat angles C4'-P-C4' energy: -72.441
flat angles P-C4'-P energy: -60.818
tors. eta vs tors. theta energy: -103.952
Dist. restrs. and SS energy: 4.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1086.834783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.834783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.162041 (E_RNA)
where:
Base-Base interactions energy: -782.762
where: short stacking energy: -336.691
Base-Backbone interact. energy: -1.625
local terms energy: -306.775416
where:
bonds (distance) C4'-P energy: -54.537
bonds (distance) P-C4' energy: -56.370
flat angles C4'-P-C4' energy: -66.925
flat angles P-C4'-P energy: -42.507
tors. eta vs tors. theta energy: -86.437
Dist. restrs. and SS energy: 4.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1117.811881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.811881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.306413 (E_RNA)
where:
Base-Base interactions energy: -777.180
where: short stacking energy: -318.000
Base-Backbone interact. energy: -0.434
local terms energy: -342.693212
where:
bonds (distance) C4'-P energy: -68.374
bonds (distance) P-C4' energy: -50.135
flat angles C4'-P-C4' energy: -80.675
flat angles P-C4'-P energy: -53.265
tors. eta vs tors. theta energy: -90.244
Dist. restrs. and SS energy: 2.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1037.064064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.064064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.064660 (E_RNA)
where:
Base-Base interactions energy: -741.176
where: short stacking energy: -303.649
Base-Backbone interact. energy: -1.115
local terms energy: -298.774130
where:
bonds (distance) C4'-P energy: -61.962
bonds (distance) P-C4' energy: -58.329
flat angles C4'-P-C4' energy: -53.049
flat angles P-C4'-P energy: -44.878
tors. eta vs tors. theta energy: -80.557
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: 7, replica: 4
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -963.090189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.090189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.652949 (E_RNA)
where:
Base-Base interactions energy: -660.723
where: short stacking energy: -266.691
Base-Backbone interact. energy: 0.857
local terms energy: -308.786658
where:
bonds (distance) C4'-P energy: -61.447
bonds (distance) P-C4' energy: -71.434
flat angles C4'-P-C4' energy: -63.247
flat angles P-C4'-P energy: -39.039
tors. eta vs tors. theta energy: -73.619
Dist. restrs. and SS energy: 5.563 (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: 7
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -917.376512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.376512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.123737 (E_RNA)
where:
Base-Base interactions energy: -636.882
where: short stacking energy: -244.581
Base-Backbone interact. energy: 1.172
local terms energy: -283.413864
where:
bonds (distance) C4'-P energy: -62.498
bonds (distance) P-C4' energy: -55.931
flat angles C4'-P-C4' energy: -62.512
flat angles P-C4'-P energy: -43.784
tors. eta vs tors. theta energy: -58.689
Dist. restrs. and SS energy: 1.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -899.699452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.699452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.958558 (E_RNA)
where:
Base-Base interactions energy: -643.952
where: short stacking energy: -254.386
Base-Backbone interact. energy: 1.887
local terms energy: -261.893475
where:
bonds (distance) C4'-P energy: -44.501
bonds (distance) P-C4' energy: -57.604
flat angles C4'-P-C4' energy: -59.491
flat angles P-C4'-P energy: -36.458
tors. eta vs tors. theta energy: -63.840
Dist. restrs. and SS energy: 4.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -821.352478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.352478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.671901 (E_RNA)
where:
Base-Base interactions energy: -539.984
where: short stacking energy: -219.990
Base-Backbone interact. energy: -0.850
local terms energy: -286.837795
where:
bonds (distance) C4'-P energy: -66.658
bonds (distance) P-C4' energy: -74.228
flat angles C4'-P-C4' energy: -64.891
flat angles P-C4'-P energy: -35.756
tors. eta vs tors. theta energy: -45.306
Dist. restrs. and SS energy: 6.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1222.445323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.445323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.445813 (E_RNA)
where:
Base-Base interactions energy: -846.591
where: short stacking energy: -367.344
Base-Backbone interact. energy: -1.901
local terms energy: -376.954586
where:
bonds (distance) C4'-P energy: -69.471
bonds (distance) P-C4' energy: -65.848
flat angles C4'-P-C4' energy: -84.051
flat angles P-C4'-P energy: -46.567
tors. eta vs tors. theta energy: -111.017
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: 2, replica: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1218.289864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.289864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.188664 (E_RNA)
where:
Base-Base interactions energy: -858.233
where: short stacking energy: -332.605
Base-Backbone interact. energy: -0.577
local terms energy: -363.378661
where:
bonds (distance) C4'-P energy: -55.200
bonds (distance) P-C4' energy: -76.187
flat angles C4'-P-C4' energy: -79.606
flat angles P-C4'-P energy: -57.255
tors. eta vs tors. theta energy: -95.130
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: 3, replica: 6
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1172.078126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.078126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.820900 (E_RNA)
where:
Base-Base interactions energy: -806.004
where: short stacking energy: -342.535
Base-Backbone interact. energy: 0.444
local terms energy: -370.260791
where:
bonds (distance) C4'-P energy: -52.076
bonds (distance) P-C4' energy: -69.788
flat angles C4'-P-C4' energy: -79.329
flat angles P-C4'-P energy: -60.646
tors. eta vs tors. theta energy: -108.423
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: 4, replica: 1
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1085.862628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.862628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.106095 (E_RNA)
where:
Base-Base interactions energy: -756.065
where: short stacking energy: -303.527
Base-Backbone interact. energy: -0.769
local terms energy: -334.272050
where:
bonds (distance) C4'-P energy: -61.303
bonds (distance) P-C4' energy: -59.934
flat angles C4'-P-C4' energy: -77.673
flat angles P-C4'-P energy: -46.546
tors. eta vs tors. theta energy: -88.815
Dist. restrs. and SS energy: 5.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1109.894804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.894804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.181930 (E_RNA)
where:
Base-Base interactions energy: -792.862
where: short stacking energy: -310.708
Base-Backbone interact. energy: -2.724
local terms energy: -319.595212
where:
bonds (distance) C4'-P energy: -56.763
bonds (distance) P-C4' energy: -66.906
flat angles C4'-P-C4' energy: -65.868
flat angles P-C4'-P energy: -46.385
tors. eta vs tors. theta energy: -83.672
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: 6, replica: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1028.691742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.691742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.100414 (E_RNA)
where:
Base-Base interactions energy: -710.572
where: short stacking energy: -295.771
Base-Backbone interact. energy: -1.251
local terms energy: -321.277808
where:
bonds (distance) C4'-P energy: -62.401
bonds (distance) P-C4' energy: -60.609
flat angles C4'-P-C4' energy: -67.844
flat angles P-C4'-P energy: -52.958
tors. eta vs tors. theta energy: -77.465
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: 7, replica: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1000.271063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.271063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.871834 (E_RNA)
where:
Base-Base interactions energy: -699.279
where: short stacking energy: -287.888
Base-Backbone interact. energy: 1.291
local terms energy: -306.883415
where:
bonds (distance) C4'-P energy: -53.963
bonds (distance) P-C4' energy: -49.340
flat angles C4'-P-C4' energy: -72.694
flat angles P-C4'-P energy: -48.663
tors. eta vs tors. theta energy: -82.223
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: 8, replica: 7
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -890.567427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.567427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.117752 (E_RNA)
where:
Base-Base interactions energy: -625.798
where: short stacking energy: -234.208
Base-Backbone interact. energy: -1.565
local terms energy: -272.755385
where:
bonds (distance) C4'-P energy: -61.929
bonds (distance) P-C4' energy: -59.680
flat angles C4'-P-C4' energy: -62.278
flat angles P-C4'-P energy: -41.937
tors. eta vs tors. theta energy: -46.931
Dist. restrs. and SS energy: 9.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -921.806706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.806706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.359474 (E_RNA)
where:
Base-Base interactions energy: -657.581
where: short stacking energy: -256.395
Base-Backbone interact. energy: -1.507
local terms energy: -264.271644
where:
bonds (distance) C4'-P energy: -46.283
bonds (distance) P-C4' energy: -43.881
flat angles C4'-P-C4' energy: -65.608
flat angles P-C4'-P energy: -43.009
tors. eta vs tors. theta energy: -65.491
Dist. restrs. and SS energy: 1.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -867.584256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.584256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.380829 (E_RNA)
where:
Base-Base interactions energy: -608.535
where: short stacking energy: -246.655
Base-Backbone interact. energy: -0.507
local terms energy: -265.339243
where:
bonds (distance) C4'-P energy: -45.083
bonds (distance) P-C4' energy: -63.159
flat angles C4'-P-C4' energy: -62.431
flat angles P-C4'-P energy: -34.830
tors. eta vs tors. theta energy: -59.837
Dist. restrs. and SS energy: 6.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1229.965737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.965737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.714709 (E_RNA)
where:
Base-Base interactions energy: -859.440
where: short stacking energy: -357.474
Base-Backbone interact. energy: -0.988
local terms energy: -374.287047
where:
bonds (distance) C4'-P energy: -61.326
bonds (distance) P-C4' energy: -69.671
flat angles C4'-P-C4' energy: -80.012
flat angles P-C4'-P energy: -57.635
tors. eta vs tors. theta energy: -105.643
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: 2, replica: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1233.508293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.508293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.853572 (E_RNA)
where:
Base-Base interactions energy: -881.507
where: short stacking energy: -358.303
Base-Backbone interact. energy: -1.723
local terms energy: -355.623216
where:
bonds (distance) C4'-P energy: -53.145
bonds (distance) P-C4' energy: -69.906
flat angles C4'-P-C4' energy: -75.270
flat angles P-C4'-P energy: -53.515
tors. eta vs tors. theta energy: -103.788
Dist. restrs. and SS energy: 5.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1175.364338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.364338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.611112 (E_RNA)
where:
Base-Base interactions energy: -798.824
where: short stacking energy: -354.135
Base-Backbone interact. energy: -0.140
local terms energy: -379.647496
where:
bonds (distance) C4'-P energy: -64.377
bonds (distance) P-C4' energy: -76.793
flat angles C4'-P-C4' energy: -76.714
flat angles P-C4'-P energy: -57.585
tors. eta vs tors. theta energy: -104.178
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: 4, replica: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1132.036932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.036932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.517444 (E_RNA)
where:
Base-Base interactions energy: -800.875
where: short stacking energy: -344.619
Base-Backbone interact. energy: -2.090
local terms energy: -334.551721
where:
bonds (distance) C4'-P energy: -59.090
bonds (distance) P-C4' energy: -54.689
flat angles C4'-P-C4' energy: -77.271
flat angles P-C4'-P energy: -51.212
tors. eta vs tors. theta energy: -92.290
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: 5, replica: 1
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1101.176002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.176002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.198148 (E_RNA)
where:
Base-Base interactions energy: -764.974
where: short stacking energy: -324.388
Base-Backbone interact. energy: -0.185
local terms energy: -340.039036
where:
bonds (distance) C4'-P energy: -63.234
bonds (distance) P-C4' energy: -64.416
flat angles C4'-P-C4' energy: -69.523
flat angles P-C4'-P energy: -51.386
tors. eta vs tors. theta energy: -91.480
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: 6, replica: 4
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1039.153830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.153830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.743751 (E_RNA)
where:
Base-Base interactions energy: -703.965
where: short stacking energy: -294.039
Base-Backbone interact. energy: -0.708
local terms energy: -338.070938
where:
bonds (distance) C4'-P energy: -69.557
bonds (distance) P-C4' energy: -59.675
flat angles C4'-P-C4' energy: -69.796
flat angles P-C4'-P energy: -50.890
tors. eta vs tors. theta energy: -88.154
Dist. restrs. and SS energy: 3.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -986.084354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.084354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.437441 (E_RNA)
where:
Base-Base interactions energy: -711.909
where: short stacking energy: -287.846
Base-Backbone interact. energy: -2.176
local terms energy: -273.352227
where:
bonds (distance) C4'-P energy: -50.674
bonds (distance) P-C4' energy: -54.485
flat angles C4'-P-C4' energy: -65.459
flat angles P-C4'-P energy: -41.104
tors. eta vs tors. theta energy: -61.630
Dist. restrs. and SS energy: 1.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -967.059699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.059699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.915561 (E_RNA)
where:
Base-Base interactions energy: -671.025
where: short stacking energy: -258.860
Base-Backbone interact. energy: -0.702
local terms energy: -299.187967
where:
bonds (distance) C4'-P energy: -49.653
bonds (distance) P-C4' energy: -67.276
flat angles C4'-P-C4' energy: -62.098
flat angles P-C4'-P energy: -46.312
tors. eta vs tors. theta energy: -73.849
Dist. restrs. and SS energy: 3.856 (S_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: 223
Temperature: 1.300000
Total energy: -901.281839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.281839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.428659 (E_RNA)
where:
Base-Base interactions energy: -613.500
where: short stacking energy: -248.113
Base-Backbone interact. energy: -1.409
local terms energy: -291.519777
where:
bonds (distance) C4'-P energy: -62.176
bonds (distance) P-C4' energy: -67.200
flat angles C4'-P-C4' energy: -55.785
flat angles P-C4'-P energy: -47.364
tors. eta vs tors. theta energy: -58.995
Dist. restrs. and SS energy: 5.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -816.774634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.774634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.021477 (E_RNA)
where:
Base-Base interactions energy: -586.309
where: short stacking energy: -210.892
Base-Backbone interact. energy: -1.734
local terms energy: -237.978957
where:
bonds (distance) C4'-P energy: -35.654
bonds (distance) P-C4' energy: -64.124
flat angles C4'-P-C4' energy: -61.890
flat angles P-C4'-P energy: -31.292
tors. eta vs tors. theta energy: -45.019
Dist. restrs. and SS energy: 9.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1248.229004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.229004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.051390 (E_RNA)
where:
Base-Base interactions energy: -882.544
where: short stacking energy: -358.917
Base-Backbone interact. energy: -1.914
local terms energy: -366.593088
where:
bonds (distance) C4'-P energy: -66.252
bonds (distance) P-C4' energy: -68.908
flat angles C4'-P-C4' energy: -84.397
flat angles P-C4'-P energy: -48.016
tors. eta vs tors. theta energy: -99.020
Dist. restrs. and SS energy: 2.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1214.103915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.103915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.904755 (E_RNA)
where:
Base-Base interactions energy: -848.489
where: short stacking energy: -357.739
Base-Backbone interact. energy: -1.997
local terms energy: -366.418205
where:
bonds (distance) C4'-P energy: -56.298
bonds (distance) P-C4' energy: -76.121
flat angles C4'-P-C4' energy: -73.926
flat angles P-C4'-P energy: -51.351
tors. eta vs tors. theta energy: -108.722
Dist. restrs. and SS energy: 2.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1163.573344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.573344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.621311 (E_RNA)
where:
Base-Base interactions energy: -810.313
where: short stacking energy: -357.005
Base-Backbone interact. energy: -2.116
local terms energy: -353.192295
where:
bonds (distance) C4'-P energy: -60.282
bonds (distance) P-C4' energy: -67.982
flat angles C4'-P-C4' energy: -76.852
flat angles P-C4'-P energy: -51.932
tors. eta vs tors. theta energy: -96.144
Dist. restrs. and SS energy: 2.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1109.241616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.241616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.930376 (E_RNA)
where:
Base-Base interactions energy: -776.398
where: short stacking energy: -333.967
Base-Backbone interact. energy: -2.368
local terms energy: -336.164397
where:
bonds (distance) C4'-P energy: -59.764
bonds (distance) P-C4' energy: -61.629
flat angles C4'-P-C4' energy: -77.138
flat angles P-C4'-P energy: -45.919
tors. eta vs tors. theta energy: -91.715
Dist. restrs. and SS energy: 5.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1050.226124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.226124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.685697 (E_RNA)
where:
Base-Base interactions energy: -734.664
where: short stacking energy: -305.916
Base-Backbone interact. energy: 0.997
local terms energy: -320.018972
where:
bonds (distance) C4'-P energy: -61.944
bonds (distance) P-C4' energy: -70.533
flat angles C4'-P-C4' energy: -69.538
flat angles P-C4'-P energy: -41.271
tors. eta vs tors. theta energy: -76.732
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: 6, replica: 1
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1053.255364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.255364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.752099 (E_RNA)
where:
Base-Base interactions energy: -733.409
where: short stacking energy: -284.112
Base-Backbone interact. energy: 0.680
local terms energy: -325.023715
where:
bonds (distance) C4'-P energy: -57.394
bonds (distance) P-C4' energy: -60.260
flat angles C4'-P-C4' energy: -71.115
flat angles P-C4'-P energy: -54.597
tors. eta vs tors. theta energy: -81.657
Dist. restrs. and SS energy: 4.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -963.472267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.472267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.744093 (E_RNA)
where:
Base-Base interactions energy: -650.226
where: short stacking energy: -263.240
Base-Backbone interact. energy: 0.175
local terms energy: -318.692750
where:
bonds (distance) C4'-P energy: -66.275
bonds (distance) P-C4' energy: -68.905
flat angles C4'-P-C4' energy: -71.582
flat angles P-C4'-P energy: -45.267
tors. eta vs tors. theta energy: -66.663
Dist. restrs. and SS energy: 5.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -959.732229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.732229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.159217 (E_RNA)
where:
Base-Base interactions energy: -688.962
where: short stacking energy: -261.862
Base-Backbone interact. energy: -0.544
local terms energy: -271.653145
where:
bonds (distance) C4'-P energy: -53.733
bonds (distance) P-C4' energy: -58.420
flat angles C4'-P-C4' energy: -49.105
flat angles P-C4'-P energy: -41.778
tors. eta vs tors. theta energy: -68.618
Dist. restrs. and SS energy: 1.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -919.425910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.425910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.346732 (E_RNA)
where:
Base-Base interactions energy: -633.334
where: short stacking energy: -270.299
Base-Backbone interact. energy: -0.870
local terms energy: -291.142944
where:
bonds (distance) C4'-P energy: -63.290
bonds (distance) P-C4' energy: -56.895
flat angles C4'-P-C4' energy: -64.026
flat angles P-C4'-P energy: -38.696
tors. eta vs tors. theta energy: -68.235
Dist. restrs. and SS energy: 5.921 (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: 3
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -837.216059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.216059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.991520 (E_RNA)
where:
Base-Base interactions energy: -581.427
where: short stacking energy: -223.291
Base-Backbone interact. energy: 0.609
local terms energy: -262.174040
where:
bonds (distance) C4'-P energy: -58.629
bonds (distance) P-C4' energy: -63.731
flat angles C4'-P-C4' energy: -61.077
flat angles P-C4'-P energy: -33.824
tors. eta vs tors. theta energy: -44.914
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: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1248.276066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.276066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.554429 (E_RNA)
where:
Base-Base interactions energy: -866.534
where: short stacking energy: -358.998
Base-Backbone interact. energy: -4.187
local terms energy: -381.833292
where:
bonds (distance) C4'-P energy: -70.666
bonds (distance) P-C4' energy: -66.201
flat angles C4'-P-C4' energy: -81.720
flat angles P-C4'-P energy: -54.382
tors. eta vs tors. theta energy: -108.864
Dist. restrs. and SS energy: 4.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1214.281945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.281945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.282211 (E_RNA)
where:
Base-Base interactions energy: -854.778
where: short stacking energy: -342.496
Base-Backbone interact. energy: -4.277
local terms energy: -359.227161
where:
bonds (distance) C4'-P energy: -74.879
bonds (distance) P-C4' energy: -66.088
flat angles C4'-P-C4' energy: -68.078
flat angles P-C4'-P energy: -51.944
tors. eta vs tors. theta energy: -98.239
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: 6
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1144.783762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.783762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.727109 (E_RNA)
where:
Base-Base interactions energy: -789.043
where: short stacking energy: -339.737
Base-Backbone interact. energy: 2.214
local terms energy: -358.898947
where:
bonds (distance) C4'-P energy: -64.342
bonds (distance) P-C4' energy: -79.376
flat angles C4'-P-C4' energy: -67.205
flat angles P-C4'-P energy: -47.908
tors. eta vs tors. theta energy: -100.069
Dist. restrs. and SS energy: 0.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1096.519832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.519832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.150974 (E_RNA)
where:
Base-Base interactions energy: -764.374
where: short stacking energy: -327.288
Base-Backbone interact. energy: -1.815
local terms energy: -334.962345
where:
bonds (distance) C4'-P energy: -56.840
bonds (distance) P-C4' energy: -68.430
flat angles C4'-P-C4' energy: -81.553
flat angles P-C4'-P energy: -32.431
tors. eta vs tors. theta energy: -95.708
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: 5, replica: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1085.109560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.109560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.936316 (E_RNA)
where:
Base-Base interactions energy: -749.036
where: short stacking energy: -313.879
Base-Backbone interact. energy: -0.836
local terms energy: -340.064981
where:
bonds (distance) C4'-P energy: -65.400
bonds (distance) P-C4' energy: -64.786
flat angles C4'-P-C4' energy: -67.562
flat angles P-C4'-P energy: -50.068
tors. eta vs tors. theta energy: -92.248
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: 6, replica: 1
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1071.921224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.921224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.474867 (E_RNA)
where:
Base-Base interactions energy: -771.143
where: short stacking energy: -309.781
Base-Backbone interact. energy: 0.581
local terms energy: -306.913238
where:
bonds (distance) C4'-P energy: -54.643
bonds (distance) P-C4' energy: -62.315
flat angles C4'-P-C4' energy: -64.837
flat angles P-C4'-P energy: -44.905
tors. eta vs tors. theta energy: -80.214
Dist. restrs. and SS energy: 5.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -979.935992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.935992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.312467 (E_RNA)
where:
Base-Base interactions energy: -690.098
where: short stacking energy: -277.527
Base-Backbone interact. energy: -2.720
local terms energy: -291.494415
where:
bonds (distance) C4'-P energy: -64.327
bonds (distance) P-C4' energy: -61.702
flat angles C4'-P-C4' energy: -59.768
flat angles P-C4'-P energy: -33.848
tors. eta vs tors. theta energy: -71.849
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: 8, replica: 10
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -951.263038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.263038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.502302 (E_RNA)
where:
Base-Base interactions energy: -682.562
where: short stacking energy: -269.238
Base-Backbone interact. energy: -2.388
local terms energy: -268.552750
where:
bonds (distance) C4'-P energy: -58.174
bonds (distance) P-C4' energy: -49.577
flat angles C4'-P-C4' energy: -68.569
flat angles P-C4'-P energy: -27.023
tors. eta vs tors. theta energy: -65.209
Dist. restrs. and SS energy: 2.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -904.388421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.388421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.103134 (E_RNA)
where:
Base-Base interactions energy: -645.265
where: short stacking energy: -252.910
Base-Backbone interact. energy: -1.328
local terms energy: -265.510358
where:
bonds (distance) C4'-P energy: -45.679
bonds (distance) P-C4' energy: -62.156
flat angles C4'-P-C4' energy: -57.974
flat angles P-C4'-P energy: -41.822
tors. eta vs tors. theta energy: -57.880
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: 10, replica: 3
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -781.335040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.335040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.790782 (E_RNA)
where:
Base-Base interactions energy: -564.240
where: short stacking energy: -207.359
Base-Backbone interact. energy: -0.165
local terms energy: -219.385241
where:
bonds (distance) C4'-P energy: -56.087
bonds (distance) P-C4' energy: -54.282
flat angles C4'-P-C4' energy: -41.390
flat angles P-C4'-P energy: -30.112
tors. eta vs tors. theta energy: -37.515
Dist. restrs. and SS energy: 2.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1254.086479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.086479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.813138 (E_RNA)
where:
Base-Base interactions energy: -878.246
where: short stacking energy: -357.695
Base-Backbone interact. energy: -0.769
local terms energy: -378.798393
where:
bonds (distance) C4'-P energy: -66.125
bonds (distance) P-C4' energy: -74.377
flat angles C4'-P-C4' energy: -82.807
flat angles P-C4'-P energy: -48.596
tors. eta vs tors. theta energy: -106.893
Dist. restrs. and SS energy: 3.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1225.906747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.906747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.160150 (E_RNA)
where:
Base-Base interactions energy: -854.222
where: short stacking energy: -353.879
Base-Backbone interact. energy: 1.155
local terms energy: -377.093454
where:
bonds (distance) C4'-P energy: -62.250
bonds (distance) P-C4' energy: -75.418
flat angles C4'-P-C4' energy: -80.049
flat angles P-C4'-P energy: -54.470
tors. eta vs tors. theta energy: -104.906
Dist. restrs. and SS energy: 4.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1155.011708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.011708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.421004 (E_RNA)
where:
Base-Base interactions energy: -806.561
where: short stacking energy: -321.576
Base-Backbone interact. energy: -2.491
local terms energy: -347.369185
where:
bonds (distance) C4'-P energy: -67.411
bonds (distance) P-C4' energy: -67.081
flat angles C4'-P-C4' energy: -73.538
flat angles P-C4'-P energy: -44.796
tors. eta vs tors. theta energy: -94.543
Dist. restrs. and SS energy: 1.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1117.498614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.498614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.945200 (E_RNA)
where:
Base-Base interactions energy: -776.584
where: short stacking energy: -317.864
Base-Backbone interact. energy: -1.185
local terms energy: -343.176484
where:
bonds (distance) C4'-P energy: -65.607
bonds (distance) P-C4' energy: -69.350
flat angles C4'-P-C4' energy: -67.542
flat angles P-C4'-P energy: -47.385
tors. eta vs tors. theta energy: -93.292
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: 5, replica: 8
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1062.900722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.900722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.601008 (E_RNA)
where:
Base-Base interactions energy: -745.784
where: short stacking energy: -307.133
Base-Backbone interact. energy: -2.692
local terms energy: -316.124419
where:
bonds (distance) C4'-P energy: -61.939
bonds (distance) P-C4' energy: -55.041
flat angles C4'-P-C4' energy: -64.323
flat angles P-C4'-P energy: -45.580
tors. eta vs tors. theta energy: -89.241
Dist. restrs. and SS energy: 1.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1023.688173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.688173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.141116 (E_RNA)
where:
Base-Base interactions energy: -707.931
where: short stacking energy: -301.057
Base-Backbone interact. energy: -1.317
local terms energy: -317.892693
where:
bonds (distance) C4'-P energy: -63.175
bonds (distance) P-C4' energy: -57.334
flat angles C4'-P-C4' energy: -65.248
flat angles P-C4'-P energy: -49.190
tors. eta vs tors. theta energy: -82.946
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: 7, replica: 5
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -988.124993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.124993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.001220 (E_RNA)
where:
Base-Base interactions energy: -699.493
where: short stacking energy: -276.503
Base-Backbone interact. energy: 0.708
local terms energy: -296.216548
where:
bonds (distance) C4'-P energy: -53.031
bonds (distance) P-C4' energy: -62.681
flat angles C4'-P-C4' energy: -67.288
flat angles P-C4'-P energy: -41.416
tors. eta vs tors. theta energy: -71.801
Dist. restrs. and SS energy: 6.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -923.195454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.195454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.128424 (E_RNA)
where:
Base-Base interactions energy: -644.912
where: short stacking energy: -270.442
Base-Backbone interact. energy: -0.611
local terms energy: -281.605891
where:
bonds (distance) C4'-P energy: -46.934
bonds (distance) P-C4' energy: -64.927
flat angles C4'-P-C4' energy: -73.567
flat angles P-C4'-P energy: -35.578
tors. eta vs tors. theta energy: -60.601
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: 226
Temperature: 1.300000
Total energy: -910.157428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.157428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.962531 (E_RNA)
where:
Base-Base interactions energy: -640.573
where: short stacking energy: -261.004
Base-Backbone interact. energy: -0.864
local terms energy: -276.525245
where:
bonds (distance) C4'-P energy: -45.980
bonds (distance) P-C4' energy: -59.347
flat angles C4'-P-C4' energy: -58.694
flat angles P-C4'-P energy: -51.814
tors. eta vs tors. theta energy: -60.690
Dist. restrs. and SS energy: 7.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -866.521423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.521423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.693908 (E_RNA)
where:
Base-Base interactions energy: -606.999
where: short stacking energy: -235.512
Base-Backbone interact. energy: -2.335
local terms energy: -260.359429
where:
bonds (distance) C4'-P energy: -48.789
bonds (distance) P-C4' energy: -59.385
flat angles C4'-P-C4' energy: -51.642
flat angles P-C4'-P energy: -44.507
tors. eta vs tors. theta energy: -56.037
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: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1232.881880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.881880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.194254 (E_RNA)
where:
Base-Base interactions energy: -860.147
where: short stacking energy: -342.664
Base-Backbone interact. energy: -2.033
local terms energy: -374.015097
where:
bonds (distance) C4'-P energy: -71.228
bonds (distance) P-C4' energy: -74.181
flat angles C4'-P-C4' energy: -76.618
flat angles P-C4'-P energy: -54.991
tors. eta vs tors. theta energy: -96.997
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: 2, replica: 6
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1201.814402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.814402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.657643 (E_RNA)
where:
Base-Base interactions energy: -847.451
where: short stacking energy: -362.119
Base-Backbone interact. energy: 1.143
local terms energy: -359.350033
where:
bonds (distance) C4'-P energy: -60.567
bonds (distance) P-C4' energy: -72.967
flat angles C4'-P-C4' energy: -76.422
flat angles P-C4'-P energy: -47.198
tors. eta vs tors. theta energy: -102.196
Dist. restrs. and SS energy: 3.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1184.824439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.824439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.870579 (E_RNA)
where:
Base-Base interactions energy: -809.272
where: short stacking energy: -340.817
Base-Backbone interact. energy: 3.287
local terms energy: -384.885115
where:
bonds (distance) C4'-P energy: -71.438
bonds (distance) P-C4' energy: -70.000
flat angles C4'-P-C4' energy: -85.367
flat angles P-C4'-P energy: -58.368
tors. eta vs tors. theta energy: -99.712
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: 4, replica: 4
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1117.918637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.918637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.233249 (E_RNA)
where:
Base-Base interactions energy: -773.362
where: short stacking energy: -310.840
Base-Backbone interact. energy: -1.275
local terms energy: -346.596518
where:
bonds (distance) C4'-P energy: -75.091
bonds (distance) P-C4' energy: -67.666
flat angles C4'-P-C4' energy: -73.670
flat angles P-C4'-P energy: -47.517
tors. eta vs tors. theta energy: -82.653
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: 8
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1074.617611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.617611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.559510 (E_RNA)
where:
Base-Base interactions energy: -757.560
where: short stacking energy: -309.757
Base-Backbone interact. energy: -1.366
local terms energy: -318.633405
where:
bonds (distance) C4'-P energy: -58.110
bonds (distance) P-C4' energy: -59.930
flat angles C4'-P-C4' energy: -70.410
flat angles P-C4'-P energy: -42.140
tors. eta vs tors. theta energy: -88.044
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: 6, replica: 1
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1035.959569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.959569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.138952 (E_RNA)
where:
Base-Base interactions energy: -730.583
where: short stacking energy: -299.001
Base-Backbone interact. energy: -0.854
local terms energy: -307.701751
where:
bonds (distance) C4'-P energy: -51.626
bonds (distance) P-C4' energy: -57.165
flat angles C4'-P-C4' energy: -63.371
flat angles P-C4'-P energy: -46.944
tors. eta vs tors. theta energy: -88.595
Dist. restrs. and SS energy: 3.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -966.578451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.578451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.412356 (E_RNA)
where:
Base-Base interactions energy: -661.692
where: short stacking energy: -266.907
Base-Backbone interact. energy: -0.019
local terms energy: -310.702048
where:
bonds (distance) C4'-P energy: -61.753
bonds (distance) P-C4' energy: -67.339
flat angles C4'-P-C4' energy: -65.684
flat angles P-C4'-P energy: -47.494
tors. eta vs tors. theta energy: -68.432
Dist. restrs. and SS energy: 5.834 (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: 10
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -916.363217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.363217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.844252 (E_RNA)
where:
Base-Base interactions energy: -651.455
where: short stacking energy: -258.629
Base-Backbone interact. energy: 1.473
local terms energy: -275.862828
where:
bonds (distance) C4'-P energy: -64.765
bonds (distance) P-C4' energy: -52.293
flat angles C4'-P-C4' energy: -60.298
flat angles P-C4'-P energy: -39.832
tors. eta vs tors. theta energy: -58.674
Dist. restrs. and SS energy: 9.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -942.355697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.355697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.637590 (E_RNA)
where:
Base-Base interactions energy: -652.360
where: short stacking energy: -257.962
Base-Backbone interact. energy: 1.566
local terms energy: -297.843702
where:
bonds (distance) C4'-P energy: -66.942
bonds (distance) P-C4' energy: -53.434
flat angles C4'-P-C4' energy: -67.140
flat angles P-C4'-P energy: -44.365
tors. eta vs tors. theta energy: -65.963
Dist. restrs. and SS energy: 6.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -836.607604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.607604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.222457 (E_RNA)
where:
Base-Base interactions energy: -593.828
where: short stacking energy: -233.990
Base-Backbone interact. energy: 1.314
local terms energy: -258.708343
where:
bonds (distance) C4'-P energy: -59.009
bonds (distance) P-C4' energy: -49.246
flat angles C4'-P-C4' energy: -63.155
flat angles P-C4'-P energy: -34.189
tors. eta vs tors. theta energy: -53.110
Dist. restrs. and SS energy: 14.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1234.939546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.939546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.914607 (E_RNA)
where:
Base-Base interactions energy: -867.926
where: short stacking energy: -353.138
Base-Backbone interact. energy: 0.010
local terms energy: -369.999175
where:
bonds (distance) C4'-P energy: -64.581
bonds (distance) P-C4' energy: -66.781
flat angles C4'-P-C4' energy: -77.050
flat angles P-C4'-P energy: -55.177
tors. eta vs tors. theta energy: -106.410
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: 2, replica: 6
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1199.065393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.065393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.721581 (E_RNA)
where:
Base-Base interactions energy: -839.391
where: short stacking energy: -331.391
Base-Backbone interact. energy: 2.019
local terms energy: -365.349366
where:
bonds (distance) C4'-P energy: -64.015
bonds (distance) P-C4' energy: -68.558
flat angles C4'-P-C4' energy: -82.187
flat angles P-C4'-P energy: -54.355
tors. eta vs tors. theta energy: -96.234
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: 9
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1180.089003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.089003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.203606 (E_RNA)
where:
Base-Base interactions energy: -823.504
where: short stacking energy: -338.785
Base-Backbone interact. energy: -6.287
local terms energy: -356.412312
where:
bonds (distance) C4'-P energy: -65.184
bonds (distance) P-C4' energy: -65.691
flat angles C4'-P-C4' energy: -73.407
flat angles P-C4'-P energy: -56.279
tors. eta vs tors. theta energy: -95.852
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: 4
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1085.435070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.435070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.996894 (E_RNA)
where:
Base-Base interactions energy: -752.623
where: short stacking energy: -312.470
Base-Backbone interact. energy: -3.124
local terms energy: -333.250692
where:
bonds (distance) C4'-P energy: -56.767
bonds (distance) P-C4' energy: -64.904
flat angles C4'-P-C4' energy: -76.363
flat angles P-C4'-P energy: -52.155
tors. eta vs tors. theta energy: -83.061
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: 5, replica: 8
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1088.381327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.381327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.114396 (E_RNA)
where:
Base-Base interactions energy: -753.685
where: short stacking energy: -287.282
Base-Backbone interact. energy: -1.834
local terms energy: -335.596007
where:
bonds (distance) C4'-P energy: -62.438
bonds (distance) P-C4' energy: -65.767
flat angles C4'-P-C4' energy: -72.161
flat angles P-C4'-P energy: -51.567
tors. eta vs tors. theta energy: -83.662
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: 6, replica: 1
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1020.703323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.703323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.463888 (E_RNA)
where:
Base-Base interactions energy: -735.665
where: short stacking energy: -287.076
Base-Backbone interact. energy: 2.011
local terms energy: -289.810397
where:
bonds (distance) C4'-P energy: -54.130
bonds (distance) P-C4' energy: -62.796
flat angles C4'-P-C4' energy: -64.571
flat angles P-C4'-P energy: -35.995
tors. eta vs tors. theta energy: -72.318
Dist. restrs. and SS energy: 2.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -967.204619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.204619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.330813 (E_RNA)
where:
Base-Base interactions energy: -659.771
where: short stacking energy: -251.086
Base-Backbone interact. energy: -3.990
local terms energy: -306.569700
where:
bonds (distance) C4'-P energy: -58.199
bonds (distance) P-C4' energy: -65.241
flat angles C4'-P-C4' energy: -71.111
flat angles P-C4'-P energy: -36.552
tors. eta vs tors. theta energy: -75.467
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: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -904.053590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.053590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.338634 (E_RNA)
where:
Base-Base interactions energy: -612.397
where: short stacking energy: -234.562
Base-Backbone interact. energy: -1.278
local terms energy: -294.662760
where:
bonds (distance) C4'-P energy: -56.466
bonds (distance) P-C4' energy: -70.158
flat angles C4'-P-C4' energy: -73.096
flat angles P-C4'-P energy: -44.138
tors. eta vs tors. theta energy: -50.806
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: 9, replica: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -957.149357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.149357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.193890 (E_RNA)
where:
Base-Base interactions energy: -683.654
where: short stacking energy: -265.638
Base-Backbone interact. energy: 6.613
local terms energy: -285.153492
where:
bonds (distance) C4'-P energy: -50.790
bonds (distance) P-C4' energy: -58.486
flat angles C4'-P-C4' energy: -57.563
flat angles P-C4'-P energy: -46.471
tors. eta vs tors. theta energy: -71.843
Dist. restrs. and SS energy: 5.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -842.372497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.372497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.430267 (E_RNA)
where:
Base-Base interactions energy: -575.084
where: short stacking energy: -214.708
Base-Backbone interact. energy: -1.081
local terms energy: -273.265852
where:
bonds (distance) C4'-P energy: -57.177
bonds (distance) P-C4' energy: -54.491
flat angles C4'-P-C4' energy: -63.490
flat angles P-C4'-P energy: -47.894
tors. eta vs tors. theta energy: -50.214
Dist. restrs. and SS energy: 7.058 (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: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1255.063388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.063388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.145226 (E_RNA)
where:
Base-Base interactions energy: -861.970
where: short stacking energy: -365.975
Base-Backbone interact. energy: -0.034
local terms energy: -397.141146
where:
bonds (distance) C4'-P energy: -67.938
bonds (distance) P-C4' energy: -74.900
flat angles C4'-P-C4' energy: -79.447
flat angles P-C4'-P energy: -58.225
tors. eta vs tors. theta energy: -116.631
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: 2, replica: 6
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1194.368622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.368622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.857009 (E_RNA)
where:
Base-Base interactions energy: -844.898
where: short stacking energy: -350.314
Base-Backbone interact. energy: -2.218
local terms energy: -351.740995
where:
bonds (distance) C4'-P energy: -62.073
bonds (distance) P-C4' energy: -65.014
flat angles C4'-P-C4' energy: -79.673
flat angles P-C4'-P energy: -52.635
tors. eta vs tors. theta energy: -92.345
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: 3, replica: 9
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1212.076453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.076453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.517765 (E_RNA)
where:
Base-Base interactions energy: -859.436
where: short stacking energy: -344.099
Base-Backbone interact. energy: -2.132
local terms energy: -355.950259
where:
bonds (distance) C4'-P energy: -46.891
bonds (distance) P-C4' energy: -67.528
flat angles C4'-P-C4' energy: -75.073
flat angles P-C4'-P energy: -58.966
tors. eta vs tors. theta energy: -107.492
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: 4, replica: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1123.780285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.780285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.301282 (E_RNA)
where:
Base-Base interactions energy: -799.931
where: short stacking energy: -330.868
Base-Backbone interact. energy: -2.578
local terms energy: -326.792617
where:
bonds (distance) C4'-P energy: -64.705
bonds (distance) P-C4' energy: -62.585
flat angles C4'-P-C4' energy: -66.413
flat angles P-C4'-P energy: -39.357
tors. eta vs tors. theta energy: -93.733
Dist. restrs. and SS energy: 5.521 (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: 4
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1106.308647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.308647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.284584 (E_RNA)
where:
Base-Base interactions energy: -791.952
where: short stacking energy: -335.861
Base-Backbone interact. energy: -1.510
local terms energy: -316.823359
where:
bonds (distance) C4'-P energy: -66.120
bonds (distance) P-C4' energy: -52.620
flat angles C4'-P-C4' energy: -70.959
flat angles P-C4'-P energy: -34.892
tors. eta vs tors. theta energy: -92.232
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: 6, replica: 5
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -972.352984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.352984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.476451 (E_RNA)
where:
Base-Base interactions energy: -680.164
where: short stacking energy: -250.509
Base-Backbone interact. energy: -1.539
local terms energy: -291.773220
where:
bonds (distance) C4'-P energy: -70.339
bonds (distance) P-C4' energy: -58.300
flat angles C4'-P-C4' energy: -56.418
flat angles P-C4'-P energy: -37.159
tors. eta vs tors. theta energy: -69.557
Dist. restrs. and SS energy: 1.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1029.601127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.601127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.099840 (E_RNA)
where:
Base-Base interactions energy: -734.727
where: short stacking energy: -296.507
Base-Backbone interact. energy: 0.128
local terms energy: -299.501077
where:
bonds (distance) C4'-P energy: -46.540
bonds (distance) P-C4' energy: -54.977
flat angles C4'-P-C4' energy: -69.273
flat angles P-C4'-P energy: -45.218
tors. eta vs tors. theta energy: -83.494
Dist. restrs. and SS energy: 4.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -950.418598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.418598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.933860 (E_RNA)
where:
Base-Base interactions energy: -670.334
where: short stacking energy: -286.821
Base-Backbone interact. energy: -2.965
local terms energy: -282.634218
where:
bonds (distance) C4'-P energy: -49.684
bonds (distance) P-C4' energy: -54.357
flat angles C4'-P-C4' energy: -59.339
flat angles P-C4'-P energy: -42.252
tors. eta vs tors. theta energy: -77.002
Dist. restrs. and SS energy: 5.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -908.276695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.276695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.044382 (E_RNA)
where:
Base-Base interactions energy: -663.260
where: short stacking energy: -262.561
Base-Backbone interact. energy: -1.152
local terms energy: -249.632421
where:
bonds (distance) C4'-P energy: -51.056
bonds (distance) P-C4' energy: -51.691
flat angles C4'-P-C4' energy: -54.877
flat angles P-C4'-P energy: -40.970
tors. eta vs tors. theta energy: -51.039
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: 10, replica: 3
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -835.763181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.763181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.407904 (E_RNA)
where:
Base-Base interactions energy: -607.253
where: short stacking energy: -242.755
Base-Backbone interact. energy: 4.899
local terms energy: -242.053713
where:
bonds (distance) C4'-P energy: -50.510
bonds (distance) P-C4' energy: -46.841
flat angles C4'-P-C4' energy: -51.515
flat angles P-C4'-P energy: -31.291
tors. eta vs tors. theta energy: -61.896
Dist. restrs. and SS energy: 8.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1247.476810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.476810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.262607 (E_RNA)
where:
Base-Base interactions energy: -868.310
where: short stacking energy: -362.334
Base-Backbone interact. energy: -1.463
local terms energy: -381.490095
where:
bonds (distance) C4'-P energy: -59.811
bonds (distance) P-C4' energy: -70.152
flat angles C4'-P-C4' energy: -80.884
flat angles P-C4'-P energy: -63.921
tors. eta vs tors. theta energy: -106.721
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: 2, replica: 6
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1224.339000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.339000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.183127 (E_RNA)
where:
Base-Base interactions energy: -861.021
where: short stacking energy: -354.119
Base-Backbone interact. energy: -2.131
local terms energy: -367.031409
where:
bonds (distance) C4'-P energy: -67.754
bonds (distance) P-C4' energy: -73.712
flat angles C4'-P-C4' energy: -75.452
flat angles P-C4'-P energy: -41.334
tors. eta vs tors. theta energy: -108.778
Dist. restrs. and SS energy: 5.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1206.916414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.916414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.891312 (E_RNA)
where:
Base-Base interactions energy: -845.460
where: short stacking energy: -340.529
Base-Backbone interact. energy: -2.165
local terms energy: -367.266532
where:
bonds (distance) C4'-P energy: -65.211
bonds (distance) P-C4' energy: -59.509
flat angles C4'-P-C4' energy: -71.422
flat angles P-C4'-P energy: -58.562
tors. eta vs tors. theta energy: -112.562
Dist. restrs. and SS energy: 7.975 (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: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1125.556689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.556689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.189787 (E_RNA)
where:
Base-Base interactions energy: -775.040
where: short stacking energy: -322.433
Base-Backbone interact. energy: -1.839
local terms energy: -352.311567
where:
bonds (distance) C4'-P energy: -68.879
bonds (distance) P-C4' energy: -71.843
flat angles C4'-P-C4' energy: -74.402
flat angles P-C4'-P energy: -46.504
tors. eta vs tors. theta energy: -90.682
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: 4
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1095.613582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.613582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.472062 (E_RNA)
where:
Base-Base interactions energy: -751.863
where: short stacking energy: -307.064
Base-Backbone interact. energy: -1.457
local terms energy: -345.151642
where:
bonds (distance) C4'-P energy: -68.372
bonds (distance) P-C4' energy: -62.027
flat angles C4'-P-C4' energy: -71.460
flat angles P-C4'-P energy: -52.540
tors. eta vs tors. theta energy: -90.754
Dist. restrs. and SS energy: 2.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -992.459870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.459870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.892406 (E_RNA)
where:
Base-Base interactions energy: -685.375
where: short stacking energy: -287.450
Base-Backbone interact. energy: -2.303
local terms energy: -306.214079
where:
bonds (distance) C4'-P energy: -61.563
bonds (distance) P-C4' energy: -61.144
flat angles C4'-P-C4' energy: -59.160
flat angles P-C4'-P energy: -51.339
tors. eta vs tors. theta energy: -73.008
Dist. restrs. and SS energy: 1.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1021.296318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.296318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.189827 (E_RNA)
where:
Base-Base interactions energy: -720.852
where: short stacking energy: -295.495
Base-Backbone interact. energy: -0.115
local terms energy: -302.222365
where:
bonds (distance) C4'-P energy: -67.237
bonds (distance) P-C4' energy: -47.763
flat angles C4'-P-C4' energy: -60.479
flat angles P-C4'-P energy: -50.939
tors. eta vs tors. theta energy: -75.805
Dist. restrs. and SS energy: 1.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -963.438355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.438355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.364064 (E_RNA)
where:
Base-Base interactions energy: -683.709
where: short stacking energy: -267.269
Base-Backbone interact. energy: -0.526
local terms energy: -283.128748
where:
bonds (distance) C4'-P energy: -60.075
bonds (distance) P-C4' energy: -48.076
flat angles C4'-P-C4' energy: -61.673
flat angles P-C4'-P energy: -37.401
tors. eta vs tors. theta energy: -75.904
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: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -885.747542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.747542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.529562 (E_RNA)
where:
Base-Base interactions energy: -619.067
where: short stacking energy: -230.785
Base-Backbone interact. energy: 1.609
local terms energy: -274.071706
where:
bonds (distance) C4'-P energy: -62.996
bonds (distance) P-C4' energy: -57.632
flat angles C4'-P-C4' energy: -57.198
flat angles P-C4'-P energy: -47.360
tors. eta vs tors. theta energy: -48.886
Dist. restrs. and SS energy: 5.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -848.129487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.129487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.391433 (E_RNA)
where:
Base-Base interactions energy: -593.017
where: short stacking energy: -224.404
Base-Backbone interact. energy: 0.827
local terms energy: -260.201107
where:
bonds (distance) C4'-P energy: -57.656
bonds (distance) P-C4' energy: -52.080
flat angles C4'-P-C4' energy: -66.554
flat angles P-C4'-P energy: -40.857
tors. eta vs tors. theta energy: -43.054
Dist. restrs. and SS energy: 4.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1223.817904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.817904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.509579 (E_RNA)
where:
Base-Base interactions energy: -850.464
where: short stacking energy: -349.309
Base-Backbone interact. energy: -4.094
local terms energy: -372.951060
where:
bonds (distance) C4'-P energy: -68.379
bonds (distance) P-C4' energy: -72.751
flat angles C4'-P-C4' energy: -86.769
flat angles P-C4'-P energy: -41.402
tors. eta vs tors. theta energy: -103.651
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: 2, replica: 9
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1212.879082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.879082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.543030 (E_RNA)
where:
Base-Base interactions energy: -840.851
where: short stacking energy: -350.586
Base-Backbone interact. energy: -4.240
local terms energy: -374.452363
where:
bonds (distance) C4'-P energy: -70.732
bonds (distance) P-C4' energy: -69.043
flat angles C4'-P-C4' energy: -82.165
flat angles P-C4'-P energy: -53.306
tors. eta vs tors. theta energy: -99.206
Dist. restrs. and SS energy: 6.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1187.317964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.317964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.223605 (E_RNA)
where:
Base-Base interactions energy: -830.372
where: short stacking energy: -349.075
Base-Backbone interact. energy: 0.799
local terms energy: -363.650674
where:
bonds (distance) C4'-P energy: -61.938
bonds (distance) P-C4' energy: -62.180
flat angles C4'-P-C4' energy: -76.842
flat angles P-C4'-P energy: -56.444
tors. eta vs tors. theta energy: -106.248
Dist. restrs. and SS energy: 5.906 (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: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1129.087054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.087054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.053218 (E_RNA)
where:
Base-Base interactions energy: -769.043
where: short stacking energy: -315.903
Base-Backbone interact. energy: -1.007
local terms energy: -364.002821
where:
bonds (distance) C4'-P energy: -74.269
bonds (distance) P-C4' energy: -72.395
flat angles C4'-P-C4' energy: -68.533
flat angles P-C4'-P energy: -56.166
tors. eta vs tors. theta energy: -92.640
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: 5, replica: 4
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1113.120871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.120871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.707180 (E_RNA)
where:
Base-Base interactions energy: -790.766
where: short stacking energy: -337.742
Base-Backbone interact. energy: 0.763
local terms energy: -326.703671
where:
bonds (distance) C4'-P energy: -62.564
bonds (distance) P-C4' energy: -67.819
flat angles C4'-P-C4' energy: -57.928
flat angles P-C4'-P energy: -49.174
tors. eta vs tors. theta energy: -89.218
Dist. restrs. and SS energy: 3.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1005.496717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.496717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.408487 (E_RNA)
where:
Base-Base interactions energy: -685.967
where: short stacking energy: -280.192
Base-Backbone interact. energy: -0.589
local terms energy: -322.851822
where:
bonds (distance) C4'-P energy: -64.244
bonds (distance) P-C4' energy: -60.236
flat angles C4'-P-C4' energy: -61.777
flat angles P-C4'-P energy: -56.088
tors. eta vs tors. theta energy: -80.507
Dist. restrs. and SS energy: 3.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1033.571075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.571075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.702127 (E_RNA)
where:
Base-Base interactions energy: -763.342
where: short stacking energy: -314.491
Base-Backbone interact. energy: -0.130
local terms energy: -274.230603
where:
bonds (distance) C4'-P energy: -53.420
bonds (distance) P-C4' energy: -43.670
flat angles C4'-P-C4' energy: -57.713
flat angles P-C4'-P energy: -36.000
tors. eta vs tors. theta energy: -83.428
Dist. restrs. and SS energy: 4.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -911.881604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.881604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.177695 (E_RNA)
where:
Base-Base interactions energy: -665.302
where: short stacking energy: -260.808
Base-Backbone interact. energy: -0.858
local terms energy: -256.017036
where:
bonds (distance) C4'-P energy: -56.094
bonds (distance) P-C4' energy: -41.264
flat angles C4'-P-C4' energy: -60.819
flat angles P-C4'-P energy: -34.545
tors. eta vs tors. theta energy: -63.295
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: 9, replica: 7
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -933.873160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.873160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.361651 (E_RNA)
where:
Base-Base interactions energy: -647.580
where: short stacking energy: -240.131
Base-Backbone interact. energy: 1.074
local terms energy: -288.855474
where:
bonds (distance) C4'-P energy: -67.288
bonds (distance) P-C4' energy: -55.884
flat angles C4'-P-C4' energy: -62.886
flat angles P-C4'-P energy: -37.619
tors. eta vs tors. theta energy: -65.178
Dist. restrs. and SS energy: 1.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -840.365414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.365414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.757909 (E_RNA)
where:
Base-Base interactions energy: -598.082
where: short stacking energy: -238.253
Base-Backbone interact. energy: 2.474
local terms energy: -251.150038
where:
bonds (distance) C4'-P energy: -49.013
bonds (distance) P-C4' energy: -52.944
flat angles C4'-P-C4' energy: -53.822
flat angles P-C4'-P energy: -40.787
tors. eta vs tors. theta energy: -54.583
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: 1, replica: 2
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1251.101778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.101778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.268674 (E_RNA)
where:
Base-Base interactions energy: -877.867
where: short stacking energy: -368.724
Base-Backbone interact. energy: 1.027
local terms energy: -377.428882
where:
bonds (distance) C4'-P energy: -70.696
bonds (distance) P-C4' energy: -62.954
flat angles C4'-P-C4' energy: -82.985
flat angles P-C4'-P energy: -56.571
tors. eta vs tors. theta energy: -104.224
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: 2, replica: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1237.349748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.349748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.945896 (E_RNA)
where:
Base-Base interactions energy: -864.657
where: short stacking energy: -366.870
Base-Backbone interact. energy: -4.547
local terms energy: -373.742797
where:
bonds (distance) C4'-P energy: -67.342
bonds (distance) P-C4' energy: -72.974
flat angles C4'-P-C4' energy: -78.990
flat angles P-C4'-P energy: -49.379
tors. eta vs tors. theta energy: -105.058
Dist. restrs. and SS energy: 5.596 (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: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1185.223845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.223845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.552908 (E_RNA)
where:
Base-Base interactions energy: -820.968
where: short stacking energy: -359.839
Base-Backbone interact. energy: -1.694
local terms energy: -366.890940
where:
bonds (distance) C4'-P energy: -74.463
bonds (distance) P-C4' energy: -59.254
flat angles C4'-P-C4' energy: -73.852
flat angles P-C4'-P energy: -53.156
tors. eta vs tors. theta energy: -106.166
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: 4, replica: 6
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1155.271435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.271435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.936300 (E_RNA)
where:
Base-Base interactions energy: -818.066
where: short stacking energy: -328.625
Base-Backbone interact. energy: -2.762
local terms energy: -338.108800
where:
bonds (distance) C4'-P energy: -59.663
bonds (distance) P-C4' energy: -63.031
flat angles C4'-P-C4' energy: -75.992
flat angles P-C4'-P energy: -52.265
tors. eta vs tors. theta energy: -87.157
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: 5, replica: 4
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1080.632185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.632185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.121000 (E_RNA)
where:
Base-Base interactions energy: -752.151
where: short stacking energy: -310.491
Base-Backbone interact. energy: -2.615
local terms energy: -329.354874
where:
bonds (distance) C4'-P energy: -68.301
bonds (distance) P-C4' energy: -59.540
flat angles C4'-P-C4' energy: -69.609
flat angles P-C4'-P energy: -45.581
tors. eta vs tors. theta energy: -86.323
Dist. restrs. and SS energy: 3.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1009.336948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.336948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.351826 (E_RNA)
where:
Base-Base interactions energy: -704.107
where: short stacking energy: -294.760
Base-Backbone interact. energy: -1.075
local terms energy: -310.169750
where:
bonds (distance) C4'-P energy: -53.781
bonds (distance) P-C4' energy: -67.745
flat angles C4'-P-C4' energy: -67.598
flat angles P-C4'-P energy: -38.339
tors. eta vs tors. theta energy: -82.707
Dist. restrs. and SS energy: 6.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1015.797399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.797399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.397392 (E_RNA)
where:
Base-Base interactions energy: -731.462
where: short stacking energy: -287.873
Base-Backbone interact. energy: -0.355
local terms energy: -287.579980
where:
bonds (distance) C4'-P energy: -57.911
bonds (distance) P-C4' energy: -53.736
flat angles C4'-P-C4' energy: -60.904
flat angles P-C4'-P energy: -40.524
tors. eta vs tors. theta energy: -74.506
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: 8, replica: 10
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -923.490153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.490153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.558789 (E_RNA)
where:
Base-Base interactions energy: -653.771
where: short stacking energy: -256.350
Base-Backbone interact. energy: -1.551
local terms energy: -275.237002
where:
bonds (distance) C4'-P energy: -49.179
bonds (distance) P-C4' energy: -69.412
flat angles C4'-P-C4' energy: -66.186
flat angles P-C4'-P energy: -36.065
tors. eta vs tors. theta energy: -54.395
Dist. restrs. and SS energy: 7.069 (S_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: 232
Temperature: 1.300000
Total energy: -939.637410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.637410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.345559 (E_RNA)
where:
Base-Base interactions energy: -666.753
where: short stacking energy: -260.951
Base-Backbone interact. energy: -1.961
local terms energy: -280.632133
where:
bonds (distance) C4'-P energy: -52.980
bonds (distance) P-C4' energy: -54.272
flat angles C4'-P-C4' energy: -67.942
flat angles P-C4'-P energy: -38.893
tors. eta vs tors. theta energy: -66.544
Dist. restrs. and SS energy: 9.708 (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: 3
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -834.370380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.370380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.337829 (E_RNA)
where:
Base-Base interactions energy: -584.511
where: short stacking energy: -224.693
Base-Backbone interact. energy: -0.975
local terms energy: -258.852193
where:
bonds (distance) C4'-P energy: -56.364
bonds (distance) P-C4' energy: -56.080
flat angles C4'-P-C4' energy: -58.413
flat angles P-C4'-P energy: -42.413
tors. eta vs tors. theta energy: -45.582
Dist. restrs. and SS energy: 9.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1255.068123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.068123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.624308 (E_RNA)
where:
Base-Base interactions energy: -860.247
where: short stacking energy: -375.173
Base-Backbone interact. energy: -1.006
local terms energy: -397.370991
where:
bonds (distance) C4'-P energy: -71.429
bonds (distance) P-C4' energy: -72.421
flat angles C4'-P-C4' energy: -82.868
flat angles P-C4'-P energy: -61.493
tors. eta vs tors. theta energy: -109.160
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: 2, replica: 9
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1200.828775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.828775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.189734 (E_RNA)
where:
Base-Base interactions energy: -838.722
where: short stacking energy: -343.086
Base-Backbone interact. energy: -3.761
local terms energy: -368.706701
where:
bonds (distance) C4'-P energy: -63.687
bonds (distance) P-C4' energy: -71.307
flat angles C4'-P-C4' energy: -76.904
flat angles P-C4'-P energy: -57.571
tors. eta vs tors. theta energy: -99.238
Dist. restrs. and SS energy: 10.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1153.871645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.871645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.611033 (E_RNA)
where:
Base-Base interactions energy: -787.531
where: short stacking energy: -344.125
Base-Backbone interact. energy: -2.893
local terms energy: -368.187036
where:
bonds (distance) C4'-P energy: -61.422
bonds (distance) P-C4' energy: -72.368
flat angles C4'-P-C4' energy: -74.337
flat angles P-C4'-P energy: -62.014
tors. eta vs tors. theta energy: -98.046
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: 4, replica: 6
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1134.922029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.922029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.028177 (E_RNA)
where:
Base-Base interactions energy: -778.204
where: short stacking energy: -324.749
Base-Backbone interact. energy: -2.963
local terms energy: -356.861215
where:
bonds (distance) C4'-P energy: -74.370
bonds (distance) P-C4' energy: -57.630
flat angles C4'-P-C4' energy: -74.081
flat angles P-C4'-P energy: -58.856
tors. eta vs tors. theta energy: -91.924
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: 5, replica: 4
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1074.511656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.511656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.455243 (E_RNA)
where:
Base-Base interactions energy: -761.756
where: short stacking energy: -293.948
Base-Backbone interact. energy: -4.132
local terms energy: -312.567360
where:
bonds (distance) C4'-P energy: -63.229
bonds (distance) P-C4' energy: -55.163
flat angles C4'-P-C4' energy: -69.946
flat angles P-C4'-P energy: -40.827
tors. eta vs tors. theta energy: -83.402
Dist. restrs. and SS energy: 3.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -974.219886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.219886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.679372 (E_RNA)
where:
Base-Base interactions energy: -677.744
where: short stacking energy: -272.896
Base-Backbone interact. energy: -0.327
local terms energy: -299.608717
where:
bonds (distance) C4'-P energy: -65.194
bonds (distance) P-C4' energy: -61.283
flat angles C4'-P-C4' energy: -67.512
flat angles P-C4'-P energy: -47.750
tors. eta vs tors. theta energy: -57.870
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: 7, replica: 1
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1031.780523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.780523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.463381 (E_RNA)
where:
Base-Base interactions energy: -732.978
where: short stacking energy: -282.758
Base-Backbone interact. energy: -1.816
local terms energy: -301.669020
where:
bonds (distance) C4'-P energy: -60.145
bonds (distance) P-C4' energy: -54.442
flat angles C4'-P-C4' energy: -66.051
flat angles P-C4'-P energy: -39.434
tors. eta vs tors. theta energy: -81.598
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: 8, replica: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -959.729818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.729818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.293670 (E_RNA)
where:
Base-Base interactions energy: -689.764
where: short stacking energy: -253.361
Base-Backbone interact. energy: -0.851
local terms energy: -269.678129
where:
bonds (distance) C4'-P energy: -51.966
bonds (distance) P-C4' energy: -50.091
flat angles C4'-P-C4' energy: -58.840
flat angles P-C4'-P energy: -51.274
tors. eta vs tors. theta energy: -57.506
Dist. restrs. and SS energy: 0.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -895.900134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.900134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.597962 (E_RNA)
where:
Base-Base interactions energy: -617.927
where: short stacking energy: -244.936
Base-Backbone interact. energy: -1.945
local terms energy: -280.726136
where:
bonds (distance) C4'-P energy: -47.431
bonds (distance) P-C4' energy: -63.877
flat angles C4'-P-C4' energy: -65.104
flat angles P-C4'-P energy: -40.987
tors. eta vs tors. theta energy: -63.327
Dist. restrs. and SS energy: 4.698 (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: 3
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -848.981924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.981924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.193426 (E_RNA)
where:
Base-Base interactions energy: -591.796
where: short stacking energy: -229.262
Base-Backbone interact. energy: -0.539
local terms energy: -262.858325
where:
bonds (distance) C4'-P energy: -52.022
bonds (distance) P-C4' energy: -67.850
flat angles C4'-P-C4' energy: -53.189
flat angles P-C4'-P energy: -35.662
tors. eta vs tors. theta energy: -54.135
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: 1, replica: 2
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1237.284036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.284036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.521830 (E_RNA)
where:
Base-Base interactions energy: -876.348
where: short stacking energy: -381.887
Base-Backbone interact. energy: -1.111
local terms energy: -364.063330
where:
bonds (distance) C4'-P energy: -59.127
bonds (distance) P-C4' energy: -69.361
flat angles C4'-P-C4' energy: -74.119
flat angles P-C4'-P energy: -53.381
tors. eta vs tors. theta energy: -108.075
Dist. restrs. and SS energy: 4.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1220.345255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.345255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.665068 (E_RNA)
where:
Base-Base interactions energy: -849.251
where: short stacking energy: -354.029
Base-Backbone interact. energy: -0.109
local terms energy: -376.305455
where:
bonds (distance) C4'-P energy: -72.809
bonds (distance) P-C4' energy: -57.655
flat angles C4'-P-C4' energy: -82.917
flat angles P-C4'-P energy: -59.448
tors. eta vs tors. theta energy: -103.476
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: 3, replica: 6
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1148.554532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.554532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.027261 (E_RNA)
where:
Base-Base interactions energy: -817.116
where: short stacking energy: -344.902
Base-Backbone interact. energy: -3.036
local terms energy: -331.874628
where:
bonds (distance) C4'-P energy: -60.460
bonds (distance) P-C4' energy: -62.442
flat angles C4'-P-C4' energy: -68.420
flat angles P-C4'-P energy: -48.120
tors. eta vs tors. theta energy: -92.432
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: 4, replica: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1137.198715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.198715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.746065 (E_RNA)
where:
Base-Base interactions energy: -805.145
where: short stacking energy: -329.031
Base-Backbone interact. energy: -1.678
local terms energy: -334.922901
where:
bonds (distance) C4'-P energy: -57.952
bonds (distance) P-C4' energy: -64.187
flat angles C4'-P-C4' energy: -71.643
flat angles P-C4'-P energy: -50.824
tors. eta vs tors. theta energy: -90.316
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: 5, replica: 4
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1070.177523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.177523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.566008 (E_RNA)
where:
Base-Base interactions energy: -765.053
where: short stacking energy: -311.832
Base-Backbone interact. energy: -1.492
local terms energy: -312.020941
where:
bonds (distance) C4'-P energy: -59.047
bonds (distance) P-C4' energy: -58.175
flat angles C4'-P-C4' energy: -75.061
flat angles P-C4'-P energy: -38.226
tors. eta vs tors. theta energy: -81.511
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: 6, replica: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -991.430079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.430079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.802263 (E_RNA)
where:
Base-Base interactions energy: -677.891
where: short stacking energy: -278.860
Base-Backbone interact. energy: -3.135
local terms energy: -317.775444
where:
bonds (distance) C4'-P energy: -58.544
bonds (distance) P-C4' energy: -74.060
flat angles C4'-P-C4' energy: -68.988
flat angles P-C4'-P energy: -49.212
tors. eta vs tors. theta energy: -66.972
Dist. restrs. and SS energy: 7.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1015.471780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.471780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.870579 (E_RNA)
where:
Base-Base interactions energy: -721.537
where: short stacking energy: -289.086
Base-Backbone interact. energy: -0.215
local terms energy: -297.118769
where:
bonds (distance) C4'-P energy: -55.699
bonds (distance) P-C4' energy: -54.170
flat angles C4'-P-C4' energy: -65.524
flat angles P-C4'-P energy: -48.826
tors. eta vs tors. theta energy: -72.900
Dist. restrs. and SS energy: 3.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -960.001333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.001333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.508189 (E_RNA)
where:
Base-Base interactions energy: -681.273
where: short stacking energy: -248.023
Base-Backbone interact. energy: 4.358
local terms energy: -288.593783
where:
bonds (distance) C4'-P energy: -58.196
bonds (distance) P-C4' energy: -52.464
flat angles C4'-P-C4' energy: -68.809
flat angles P-C4'-P energy: -42.907
tors. eta vs tors. theta energy: -66.219
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: 9, replica: 3
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -860.636606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.636606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.643435 (E_RNA)
where:
Base-Base interactions energy: -610.497
where: short stacking energy: -237.562
Base-Backbone interact. energy: 1.030
local terms energy: -258.176125
where:
bonds (distance) C4'-P energy: -50.074
bonds (distance) P-C4' energy: -58.683
flat angles C4'-P-C4' energy: -56.838
flat angles P-C4'-P energy: -34.582
tors. eta vs tors. theta energy: -57.998
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: 10, replica: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -855.913006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.913006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.119622 (E_RNA)
where:
Base-Base interactions energy: -595.844
where: short stacking energy: -235.356
Base-Backbone interact. energy: -1.123
local terms energy: -266.152010
where:
bonds (distance) C4'-P energy: -55.768
bonds (distance) P-C4' energy: -53.178
flat angles C4'-P-C4' energy: -56.628
flat angles P-C4'-P energy: -46.567
tors. eta vs tors. theta energy: -54.011
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: 1, replica: 2
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1247.026364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.026364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.412469 (E_RNA)
where:
Base-Base interactions energy: -880.007
where: short stacking energy: -375.404
Base-Backbone interact. energy: -1.950
local terms energy: -368.454983
where:
bonds (distance) C4'-P energy: -61.393
bonds (distance) P-C4' energy: -56.218
flat angles C4'-P-C4' energy: -86.163
flat angles P-C4'-P energy: -54.278
tors. eta vs tors. theta energy: -110.404
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: 2, replica: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1219.224914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.224914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.631463 (E_RNA)
where:
Base-Base interactions energy: -854.921
where: short stacking energy: -338.587
Base-Backbone interact. energy: -0.882
local terms energy: -372.828410
where:
bonds (distance) C4'-P energy: -62.303
bonds (distance) P-C4' energy: -74.319
flat angles C4'-P-C4' energy: -76.224
flat angles P-C4'-P energy: -58.287
tors. eta vs tors. theta energy: -101.696
Dist. restrs. and SS energy: 9.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1172.085935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.085935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.080778 (E_RNA)
where:
Base-Base interactions energy: -807.568
where: short stacking energy: -332.986
Base-Backbone interact. energy: -3.237
local terms energy: -365.275816
where:
bonds (distance) C4'-P energy: -68.728
bonds (distance) P-C4' energy: -67.362
flat angles C4'-P-C4' energy: -74.529
flat angles P-C4'-P energy: -60.699
tors. eta vs tors. theta energy: -93.957
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: 4, replica: 8
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1148.321427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.321427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.610779 (E_RNA)
where:
Base-Base interactions energy: -780.735
where: short stacking energy: -336.037
Base-Backbone interact. energy: -2.570
local terms energy: -368.305292
where:
bonds (distance) C4'-P energy: -69.213
bonds (distance) P-C4' energy: -76.183
flat angles C4'-P-C4' energy: -75.025
flat angles P-C4'-P energy: -55.347
tors. eta vs tors. theta energy: -92.537
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: 5, replica: 4
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1060.907992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.907992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.725217 (E_RNA)
where:
Base-Base interactions energy: -761.911
where: short stacking energy: -307.756
Base-Backbone interact. energy: -1.138
local terms energy: -301.676749
where:
bonds (distance) C4'-P energy: -59.154
bonds (distance) P-C4' energy: -52.620
flat angles C4'-P-C4' energy: -62.831
flat angles P-C4'-P energy: -54.386
tors. eta vs tors. theta energy: -72.685
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: 6, replica: 7
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1031.612285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.612285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.158096 (E_RNA)
where:
Base-Base interactions energy: -721.527
where: short stacking energy: -287.820
Base-Backbone interact. energy: 0.027
local terms energy: -314.657526
where:
bonds (distance) C4'-P energy: -66.680
bonds (distance) P-C4' energy: -56.491
flat angles C4'-P-C4' energy: -69.381
flat angles P-C4'-P energy: -41.868
tors. eta vs tors. theta energy: -80.237
Dist. restrs. and SS energy: 4.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -949.462463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.462463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.871466 (E_RNA)
where:
Base-Base interactions energy: -667.200
where: short stacking energy: -272.611
Base-Backbone interact. energy: -1.488
local terms energy: -286.183025
where:
bonds (distance) C4'-P energy: -52.386
bonds (distance) P-C4' energy: -52.936
flat angles C4'-P-C4' energy: -63.621
flat angles P-C4'-P energy: -46.821
tors. eta vs tors. theta energy: -70.421
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: 8, replica: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -967.806016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.806016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.888473 (E_RNA)
where:
Base-Base interactions energy: -680.809
where: short stacking energy: -282.267
Base-Backbone interact. energy: -2.767
local terms energy: -286.311942
where:
bonds (distance) C4'-P energy: -56.320
bonds (distance) P-C4' energy: -47.499
flat angles C4'-P-C4' energy: -69.426
flat angles P-C4'-P energy: -41.564
tors. eta vs tors. theta energy: -71.503
Dist. restrs. and SS energy: 2.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -865.437499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.437499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.504100 (E_RNA)
where:
Base-Base interactions energy: -600.583
where: short stacking energy: -249.175
Base-Backbone interact. energy: 0.041
local terms energy: -267.962360
where:
bonds (distance) C4'-P energy: -57.207
bonds (distance) P-C4' energy: -61.966
flat angles C4'-P-C4' energy: -59.975
flat angles P-C4'-P energy: -26.210
tors. eta vs tors. theta energy: -62.605
Dist. restrs. and SS energy: 3.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -875.546424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.546424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.241144 (E_RNA)
where:
Base-Base interactions energy: -621.032
where: short stacking energy: -244.479
Base-Backbone interact. energy: -1.462
local terms energy: -255.747049
where:
bonds (distance) C4'-P energy: -41.856
bonds (distance) P-C4' energy: -60.220
flat angles C4'-P-C4' energy: -61.351
flat angles P-C4'-P energy: -37.484
tors. eta vs tors. theta energy: -54.836
Dist. restrs. and SS energy: 2.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1245.968596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.968596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.881731 (E_RNA)
where:
Base-Base interactions energy: -859.343
where: short stacking energy: -365.927
Base-Backbone interact. energy: -2.102
local terms energy: -390.436395
where:
bonds (distance) C4'-P energy: -65.623
bonds (distance) P-C4' energy: -67.296
flat angles C4'-P-C4' energy: -79.295
flat angles P-C4'-P energy: -68.210
tors. eta vs tors. theta energy: -110.011
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: 2, replica: 2
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1230.893695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.893695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.917167 (E_RNA)
where:
Base-Base interactions energy: -844.030
where: short stacking energy: -358.268
Base-Backbone interact. energy: 0.406
local terms energy: -389.292969
where:
bonds (distance) C4'-P energy: -74.842
bonds (distance) P-C4' energy: -67.344
flat angles C4'-P-C4' energy: -83.883
flat angles P-C4'-P energy: -60.365
tors. eta vs tors. theta energy: -102.859
Dist. restrs. and SS energy: 2.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1161.847280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.847280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.033585 (E_RNA)
where:
Base-Base interactions energy: -802.832
where: short stacking energy: -340.528
Base-Backbone interact. energy: -1.843
local terms energy: -361.358779
where:
bonds (distance) C4'-P energy: -66.697
bonds (distance) P-C4' energy: -67.885
flat angles C4'-P-C4' energy: -69.990
flat angles P-C4'-P energy: -59.008
tors. eta vs tors. theta energy: -97.779
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: 4, replica: 8
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1148.637468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.637468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.131061 (E_RNA)
where:
Base-Base interactions energy: -783.466
where: short stacking energy: -339.934
Base-Backbone interact. energy: -3.225
local terms energy: -367.439365
where:
bonds (distance) C4'-P energy: -60.493
bonds (distance) P-C4' energy: -69.169
flat angles C4'-P-C4' energy: -78.998
flat angles P-C4'-P energy: -54.541
tors. eta vs tors. theta energy: -104.238
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: 5, replica: 4
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1058.872849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.872849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.133576 (E_RNA)
where:
Base-Base interactions energy: -741.276
where: short stacking energy: -306.293
Base-Backbone interact. energy: -1.984
local terms energy: -319.873351
where:
bonds (distance) C4'-P energy: -54.197
bonds (distance) P-C4' energy: -60.890
flat angles C4'-P-C4' energy: -69.121
flat angles P-C4'-P energy: -46.119
tors. eta vs tors. theta energy: -89.546
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: 6, replica: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1007.103348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.103348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.028934 (E_RNA)
where:
Base-Base interactions energy: -697.585
where: short stacking energy: -292.330
Base-Backbone interact. energy: -2.345
local terms energy: -312.099235
where:
bonds (distance) C4'-P energy: -68.161
bonds (distance) P-C4' energy: -60.367
flat angles C4'-P-C4' energy: -65.304
flat angles P-C4'-P energy: -46.274
tors. eta vs tors. theta energy: -71.993
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: 7, replica: 5
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -934.528712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.528712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.188610 (E_RNA)
where:
Base-Base interactions energy: -648.841
where: short stacking energy: -268.166
Base-Backbone interact. energy: -0.689
local terms energy: -289.658555
where:
bonds (distance) C4'-P energy: -50.473
bonds (distance) P-C4' energy: -69.555
flat angles C4'-P-C4' energy: -64.365
flat angles P-C4'-P energy: -42.784
tors. eta vs tors. theta energy: -62.482
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: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -956.486187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.486187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.514258 (E_RNA)
where:
Base-Base interactions energy: -665.896
where: short stacking energy: -243.607
Base-Backbone interact. energy: -1.998
local terms energy: -289.620837
where:
bonds (distance) C4'-P energy: -66.121
bonds (distance) P-C4' energy: -61.627
flat angles C4'-P-C4' energy: -63.143
flat angles P-C4'-P energy: -38.209
tors. eta vs tors. theta energy: -60.521
Dist. restrs. and SS energy: 1.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -889.607826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.607826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.267145 (E_RNA)
where:
Base-Base interactions energy: -624.027
where: short stacking energy: -251.387
Base-Backbone interact. energy: -2.531
local terms energy: -266.709326
where:
bonds (distance) C4'-P energy: -47.012
bonds (distance) P-C4' energy: -53.754
flat angles C4'-P-C4' energy: -57.906
flat angles P-C4'-P energy: -48.873
tors. eta vs tors. theta energy: -59.165
Dist. restrs. and SS energy: 3.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -874.631269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.631269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.579390 (E_RNA)
where:
Base-Base interactions energy: -625.324
where: short stacking energy: -247.267
Base-Backbone interact. energy: 0.947
local terms energy: -252.202136
where:
bonds (distance) C4'-P energy: -47.383
bonds (distance) P-C4' energy: -33.723
flat angles C4'-P-C4' energy: -61.449
flat angles P-C4'-P energy: -43.643
tors. eta vs tors. theta energy: -66.005
Dist. restrs. and SS energy: 1.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1234.465217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.465217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.272782 (E_RNA)
where:
Base-Base interactions energy: -853.944
where: short stacking energy: -354.264
Base-Backbone interact. energy: -2.590
local terms energy: -385.738859
where:
bonds (distance) C4'-P energy: -62.269
bonds (distance) P-C4' energy: -77.007
flat angles C4'-P-C4' energy: -80.319
flat angles P-C4'-P energy: -57.333
tors. eta vs tors. theta energy: -108.809
Dist. restrs. and SS energy: 7.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1231.966629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.966629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.205434 (E_RNA)
where:
Base-Base interactions energy: -841.188
where: short stacking energy: -342.812
Base-Backbone interact. energy: -0.776
local terms energy: -393.241498
where:
bonds (distance) C4'-P energy: -64.444
bonds (distance) P-C4' energy: -77.841
flat angles C4'-P-C4' energy: -86.089
flat angles P-C4'-P energy: -63.227
tors. eta vs tors. theta energy: -101.639
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: 3, replica: 6
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1184.672106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.672106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.495451 (E_RNA)
where:
Base-Base interactions energy: -821.522
where: short stacking energy: -344.167
Base-Backbone interact. energy: -2.362
local terms energy: -365.611012
where:
bonds (distance) C4'-P energy: -64.621
bonds (distance) P-C4' energy: -69.326
flat angles C4'-P-C4' energy: -75.830
flat angles P-C4'-P energy: -51.288
tors. eta vs tors. theta energy: -104.547
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: 4, replica: 8
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1142.348824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.348824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.914889 (E_RNA)
where:
Base-Base interactions energy: -816.491
where: short stacking energy: -342.422
Base-Backbone interact. energy: -1.242
local terms energy: -328.181355
where:
bonds (distance) C4'-P energy: -51.656
bonds (distance) P-C4' energy: -65.482
flat angles C4'-P-C4' energy: -62.847
flat angles P-C4'-P energy: -47.677
tors. eta vs tors. theta energy: -100.519
Dist. restrs. and SS energy: 3.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1054.049325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.049325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.484978 (E_RNA)
where:
Base-Base interactions energy: -713.832
where: short stacking energy: -309.831
Base-Backbone interact. energy: -1.559
local terms energy: -345.093920
where:
bonds (distance) C4'-P energy: -62.675
bonds (distance) P-C4' energy: -68.417
flat angles C4'-P-C4' energy: -72.184
flat angles P-C4'-P energy: -44.004
tors. eta vs tors. theta energy: -97.815
Dist. restrs. and SS energy: 6.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1023.682747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.682747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.920662 (E_RNA)
where:
Base-Base interactions energy: -713.668
where: short stacking energy: -281.515
Base-Backbone interact. energy: 1.035
local terms energy: -315.288075
where:
bonds (distance) C4'-P energy: -59.851
bonds (distance) P-C4' energy: -63.324
flat angles C4'-P-C4' energy: -72.324
flat angles P-C4'-P energy: -47.865
tors. eta vs tors. theta energy: -71.923
Dist. restrs. and SS energy: 4.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -965.268161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.268161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.551220 (E_RNA)
where:
Base-Base interactions energy: -667.661
where: short stacking energy: -272.158
Base-Backbone interact. energy: -2.474
local terms energy: -299.415286
where:
bonds (distance) C4'-P energy: -54.660
bonds (distance) P-C4' energy: -61.658
flat angles C4'-P-C4' energy: -72.885
flat angles P-C4'-P energy: -41.422
tors. eta vs tors. theta energy: -68.790
Dist. restrs. and SS energy: 4.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -969.110070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.110070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.021665 (E_RNA)
where:
Base-Base interactions energy: -663.309
where: short stacking energy: -272.710
Base-Backbone interact. energy: 0.054
local terms energy: -309.766784
where:
bonds (distance) C4'-P energy: -57.712
bonds (distance) P-C4' energy: -67.718
flat angles C4'-P-C4' energy: -64.591
flat angles P-C4'-P energy: -41.685
tors. eta vs tors. theta energy: -78.062
Dist. restrs. and SS energy: 3.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -896.466641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.466641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.661268 (E_RNA)
where:
Base-Base interactions energy: -644.850
where: short stacking energy: -256.489
Base-Backbone interact. energy: -0.465
local terms energy: -255.346766
where:
bonds (distance) C4'-P energy: -40.921
bonds (distance) P-C4' energy: -54.644
flat angles C4'-P-C4' energy: -57.186
flat angles P-C4'-P energy: -32.854
tors. eta vs tors. theta energy: -69.742
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: 237
Temperature: 1.350000
Total energy: -846.660031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.660031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.985571 (E_RNA)
where:
Base-Base interactions energy: -612.850
where: short stacking energy: -256.680
Base-Backbone interact. energy: 2.551
local terms energy: -239.685744
where:
bonds (distance) C4'-P energy: -37.392
bonds (distance) P-C4' energy: -49.441
flat angles C4'-P-C4' energy: -57.055
flat angles P-C4'-P energy: -38.627
tors. eta vs tors. theta energy: -57.171
Dist. restrs. and SS energy: 3.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1251.586740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.586740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.129884 (E_RNA)
where:
Base-Base interactions energy: -874.241
where: short stacking energy: -374.711
Base-Backbone interact. energy: -1.095
local terms energy: -383.793222
where:
bonds (distance) C4'-P energy: -65.535
bonds (distance) P-C4' energy: -72.030
flat angles C4'-P-C4' energy: -77.707
flat angles P-C4'-P energy: -60.254
tors. eta vs tors. theta energy: -108.267
Dist. restrs. and SS energy: 7.543 (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: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1228.996552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.996552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.208801 (E_RNA)
where:
Base-Base interactions energy: -858.773
where: short stacking energy: -372.388
Base-Backbone interact. energy: -0.534
local terms energy: -371.902243
where:
bonds (distance) C4'-P energy: -74.571
bonds (distance) P-C4' energy: -58.595
flat angles C4'-P-C4' energy: -75.290
flat angles P-C4'-P energy: -54.415
tors. eta vs tors. theta energy: -109.031
Dist. restrs. and SS energy: 2.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1181.536359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.536359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.908886 (E_RNA)
where:
Base-Base interactions energy: -829.357
where: short stacking energy: -357.395
Base-Backbone interact. energy: -1.039
local terms energy: -354.513626
where:
bonds (distance) C4'-P energy: -69.285
bonds (distance) P-C4' energy: -67.334
flat angles C4'-P-C4' energy: -67.876
flat angles P-C4'-P energy: -48.751
tors. eta vs tors. theta energy: -101.268
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: 6
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1160.842932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.842932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.945941 (E_RNA)
where:
Base-Base interactions energy: -803.067
where: short stacking energy: -336.185
Base-Backbone interact. energy: -3.254
local terms energy: -359.625919
where:
bonds (distance) C4'-P energy: -60.971
bonds (distance) P-C4' energy: -70.727
flat angles C4'-P-C4' energy: -75.260
flat angles P-C4'-P energy: -59.058
tors. eta vs tors. theta energy: -93.610
Dist. restrs. and SS energy: 5.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1092.256420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.256420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.725758 (E_RNA)
where:
Base-Base interactions energy: -762.965
where: short stacking energy: -331.149
Base-Backbone interact. energy: 0.278
local terms energy: -335.038669
where:
bonds (distance) C4'-P energy: -61.237
bonds (distance) P-C4' energy: -62.139
flat angles C4'-P-C4' energy: -67.097
flat angles P-C4'-P energy: -49.871
tors. eta vs tors. theta energy: -94.694
Dist. restrs. and SS energy: 5.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1045.450580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.450580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.554527 (E_RNA)
where:
Base-Base interactions energy: -738.486
where: short stacking energy: -277.180
Base-Backbone interact. energy: 0.484
local terms energy: -310.552260
where:
bonds (distance) C4'-P energy: -56.067
bonds (distance) P-C4' energy: -68.942
flat angles C4'-P-C4' energy: -70.330
flat angles P-C4'-P energy: -43.828
tors. eta vs tors. theta energy: -71.385
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: 7, replica: 5
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -962.745585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.745585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.784890 (E_RNA)
where:
Base-Base interactions energy: -656.637
where: short stacking energy: -261.853
Base-Backbone interact. energy: -2.021
local terms energy: -308.126941
where:
bonds (distance) C4'-P energy: -64.598
bonds (distance) P-C4' energy: -50.561
flat angles C4'-P-C4' energy: -65.074
flat angles P-C4'-P energy: -57.447
tors. eta vs tors. theta energy: -70.447
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: 8, replica: 1
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -953.638485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.638485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.403702 (E_RNA)
where:
Base-Base interactions energy: -678.632
where: short stacking energy: -271.444
Base-Backbone interact. energy: 0.394
local terms energy: -282.165607
where:
bonds (distance) C4'-P energy: -52.270
bonds (distance) P-C4' energy: -66.198
flat angles C4'-P-C4' energy: -60.460
flat angles P-C4'-P energy: -34.937
tors. eta vs tors. theta energy: -68.301
Dist. restrs. and SS energy: 6.765 (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: 3
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -913.907513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.907513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.982423 (E_RNA)
where:
Base-Base interactions energy: -630.044
where: short stacking energy: -254.264
Base-Backbone interact. energy: 1.025
local terms energy: -292.964256
where:
bonds (distance) C4'-P energy: -58.771
bonds (distance) P-C4' energy: -68.325
flat angles C4'-P-C4' energy: -57.215
flat angles P-C4'-P energy: -43.271
tors. eta vs tors. theta energy: -65.382
Dist. restrs. and SS energy: 8.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -871.104604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.104604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.792878 (E_RNA)
where:
Base-Base interactions energy: -620.874
where: short stacking energy: -239.622
Base-Backbone interact. energy: -0.814
local terms energy: -254.104960
where:
bonds (distance) C4'-P energy: -49.921
bonds (distance) P-C4' energy: -46.555
flat angles C4'-P-C4' energy: -66.865
flat angles P-C4'-P energy: -39.925
tors. eta vs tors. theta energy: -50.839
Dist. restrs. and SS energy: 4.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1234.413834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.413834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.951056 (E_RNA)
where:
Base-Base interactions energy: -859.208
where: short stacking energy: -361.277
Base-Backbone interact. energy: -4.610
local terms energy: -378.133259
where:
bonds (distance) C4'-P energy: -71.523
bonds (distance) P-C4' energy: -74.614
flat angles C4'-P-C4' energy: -75.722
flat angles P-C4'-P energy: -49.877
tors. eta vs tors. theta energy: -106.398
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: 2, replica: 8
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1226.805648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.805648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.700142 (E_RNA)
where:
Base-Base interactions energy: -856.663
where: short stacking energy: -359.847
Base-Backbone interact. energy: 6.751
local terms energy: -380.788012
where:
bonds (distance) C4'-P energy: -66.560
bonds (distance) P-C4' energy: -66.678
flat angles C4'-P-C4' energy: -77.726
flat angles P-C4'-P energy: -57.257
tors. eta vs tors. theta energy: -112.567
Dist. restrs. and SS energy: 3.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1203.144443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.144443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.336340 (E_RNA)
where:
Base-Base interactions energy: -833.061
where: short stacking energy: -330.558
Base-Backbone interact. energy: -0.316
local terms energy: -371.959263
where:
bonds (distance) C4'-P energy: -76.352
bonds (distance) P-C4' energy: -66.234
flat angles C4'-P-C4' energy: -76.134
flat angles P-C4'-P energy: -58.534
tors. eta vs tors. theta energy: -94.705
Dist. restrs. and SS energy: 2.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1141.940080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.940080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.536784 (E_RNA)
where:
Base-Base interactions energy: -785.404
where: short stacking energy: -343.640
Base-Backbone interact. energy: -2.634
local terms energy: -358.498614
where:
bonds (distance) C4'-P energy: -66.332
bonds (distance) P-C4' energy: -58.718
flat angles C4'-P-C4' energy: -77.983
flat angles P-C4'-P energy: -54.304
tors. eta vs tors. theta energy: -101.162
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: 5, replica: 4
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1056.519644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.519644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.237205 (E_RNA)
where:
Base-Base interactions energy: -724.604
where: short stacking energy: -297.615
Base-Backbone interact. energy: 2.545
local terms energy: -337.177761
where:
bonds (distance) C4'-P energy: -63.594
bonds (distance) P-C4' energy: -70.882
flat angles C4'-P-C4' energy: -68.210
flat angles P-C4'-P energy: -47.690
tors. eta vs tors. theta energy: -86.801
Dist. restrs. and SS energy: 2.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -998.773759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.773759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.499452 (E_RNA)
where:
Base-Base interactions energy: -717.481
where: short stacking energy: -281.796
Base-Backbone interact. energy: -2.578
local terms energy: -285.441162
where:
bonds (distance) C4'-P energy: -45.410
bonds (distance) P-C4' energy: -64.074
flat angles C4'-P-C4' energy: -67.335
flat angles P-C4'-P energy: -34.462
tors. eta vs tors. theta energy: -74.160
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: 7, replica: 5
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -979.943183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.943183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.948396 (E_RNA)
where:
Base-Base interactions energy: -676.367
where: short stacking energy: -278.437
Base-Backbone interact. energy: -2.150
local terms energy: -304.431052
where:
bonds (distance) C4'-P energy: -51.211
bonds (distance) P-C4' energy: -65.298
flat angles C4'-P-C4' energy: -67.151
flat angles P-C4'-P energy: -46.781
tors. eta vs tors. theta energy: -73.989
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: 8, replica: 3
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -892.212079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.212079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.899369 (E_RNA)
where:
Base-Base interactions energy: -612.070
where: short stacking energy: -243.228
Base-Backbone interact. energy: -0.089
local terms energy: -288.740259
where:
bonds (distance) C4'-P energy: -62.510
bonds (distance) P-C4' energy: -56.902
flat angles C4'-P-C4' energy: -66.790
flat angles P-C4'-P energy: -43.892
tors. eta vs tors. theta energy: -58.646
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: 9, replica: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -943.897384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.897384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.254726 (E_RNA)
where:
Base-Base interactions energy: -655.350
where: short stacking energy: -272.287
Base-Backbone interact. energy: -1.596
local terms energy: -293.309230
where:
bonds (distance) C4'-P energy: -49.112
bonds (distance) P-C4' energy: -68.903
flat angles C4'-P-C4' energy: -54.038
flat angles P-C4'-P energy: -45.199
tors. eta vs tors. theta energy: -76.057
Dist. restrs. and SS energy: 6.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -859.570849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.570849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.503035 (E_RNA)
where:
Base-Base interactions energy: -609.166
where: short stacking energy: -232.776
Base-Backbone interact. energy: -1.388
local terms energy: -251.948653
where:
bonds (distance) C4'-P energy: -36.167
bonds (distance) P-C4' energy: -66.084
flat angles C4'-P-C4' energy: -59.986
flat angles P-C4'-P energy: -38.565
tors. eta vs tors. theta energy: -51.147
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: 1, replica: 9
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1245.398768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.398768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.592697 (E_RNA)
where:
Base-Base interactions energy: -864.435
where: short stacking energy: -349.324
Base-Backbone interact. energy: -1.737
local terms energy: -386.420691
where:
bonds (distance) C4'-P energy: -69.620
bonds (distance) P-C4' energy: -79.214
flat angles C4'-P-C4' energy: -78.661
flat angles P-C4'-P energy: -56.645
tors. eta vs tors. theta energy: -102.280
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: 2, replica: 8
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1189.113797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.113797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.101037 (E_RNA)
where:
Base-Base interactions energy: -825.871
where: short stacking energy: -335.677
Base-Backbone interact. energy: -2.852
local terms energy: -364.378119
where:
bonds (distance) C4'-P energy: -68.206
bonds (distance) P-C4' energy: -67.536
flat angles C4'-P-C4' energy: -72.316
flat angles P-C4'-P energy: -52.890
tors. eta vs tors. theta energy: -103.430
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: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1228.315258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.315258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.648462 (E_RNA)
where:
Base-Base interactions energy: -851.541
where: short stacking energy: -348.869
Base-Backbone interact. energy: -1.982
local terms energy: -376.125521
where:
bonds (distance) C4'-P energy: -69.368
bonds (distance) P-C4' energy: -68.131
flat angles C4'-P-C4' energy: -76.958
flat angles P-C4'-P energy: -53.569
tors. eta vs tors. theta energy: -108.100
Dist. restrs. and SS energy: 1.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1121.997807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.997807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.695763 (E_RNA)
where:
Base-Base interactions energy: -768.750
where: short stacking energy: -335.263
Base-Backbone interact. energy: -1.548
local terms energy: -356.398135
where:
bonds (distance) C4'-P energy: -64.657
bonds (distance) P-C4' energy: -67.295
flat angles C4'-P-C4' energy: -83.384
flat angles P-C4'-P energy: -52.171
tors. eta vs tors. theta energy: -88.892
Dist. restrs. and SS energy: 4.698 (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: 4
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1037.185514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.185514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.181330 (E_RNA)
where:
Base-Base interactions energy: -711.301
where: short stacking energy: -311.618
Base-Backbone interact. energy: -0.255
local terms energy: -329.624559
where:
bonds (distance) C4'-P energy: -62.574
bonds (distance) P-C4' energy: -68.453
flat angles C4'-P-C4' energy: -70.635
flat angles P-C4'-P energy: -41.493
tors. eta vs tors. theta energy: -86.469
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: 6, replica: 7
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1023.262357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.262357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.638830 (E_RNA)
where:
Base-Base interactions energy: -710.821
where: short stacking energy: -272.259
Base-Backbone interact. energy: 1.122
local terms energy: -318.939714
where:
bonds (distance) C4'-P energy: -60.353
bonds (distance) P-C4' energy: -69.418
flat angles C4'-P-C4' energy: -70.527
flat angles P-C4'-P energy: -46.043
tors. eta vs tors. theta energy: -72.598
Dist. restrs. and SS energy: 5.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -958.784128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.784128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.616878 (E_RNA)
where:
Base-Base interactions energy: -662.448
where: short stacking energy: -272.276
Base-Backbone interact. energy: 1.488
local terms energy: -300.656762
where:
bonds (distance) C4'-P energy: -69.132
bonds (distance) P-C4' energy: -56.842
flat angles C4'-P-C4' energy: -68.384
flat angles P-C4'-P energy: -37.149
tors. eta vs tors. theta energy: -69.150
Dist. restrs. and SS energy: 2.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -920.492821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.492821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.983486 (E_RNA)
where:
Base-Base interactions energy: -651.110
where: short stacking energy: -266.401
Base-Backbone interact. energy: -0.166
local terms energy: -275.707212
where:
bonds (distance) C4'-P energy: -68.392
bonds (distance) P-C4' energy: -52.053
flat angles C4'-P-C4' energy: -60.346
flat angles P-C4'-P energy: -36.884
tors. eta vs tors. theta energy: -58.032
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: 9, replica: 1
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -928.192550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.192550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.562038 (E_RNA)
where:
Base-Base interactions energy: -643.021
where: short stacking energy: -264.456
Base-Backbone interact. energy: -0.793
local terms energy: -290.747710
where:
bonds (distance) C4'-P energy: -51.141
bonds (distance) P-C4' energy: -61.659
flat angles C4'-P-C4' energy: -72.365
flat angles P-C4'-P energy: -38.802
tors. eta vs tors. theta energy: -66.780
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: 10, replica: 10
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -868.494488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.494488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.459581 (E_RNA)
where:
Base-Base interactions energy: -597.269
where: short stacking energy: -246.013
Base-Backbone interact. energy: -1.938
local terms energy: -277.252713
where:
bonds (distance) C4'-P energy: -53.465
bonds (distance) P-C4' energy: -44.616
flat angles C4'-P-C4' energy: -66.503
flat angles P-C4'-P energy: -47.423
tors. eta vs tors. theta energy: -65.246
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: 1, replica: 9
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1259.831613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.831613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.630178 (E_RNA)
where:
Base-Base interactions energy: -884.848
where: short stacking energy: -355.782
Base-Backbone interact. energy: 1.151
local terms energy: -381.933485
where:
bonds (distance) C4'-P energy: -65.304
bonds (distance) P-C4' energy: -75.258
flat angles C4'-P-C4' energy: -72.337
flat angles P-C4'-P energy: -58.371
tors. eta vs tors. theta energy: -110.663
Dist. restrs. and SS energy: 5.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1236.128904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.128904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.794064 (E_RNA)
where:
Base-Base interactions energy: -862.959
where: short stacking energy: -357.360
Base-Backbone interact. energy: -2.560
local terms energy: -371.275724
where:
bonds (distance) C4'-P energy: -68.279
bonds (distance) P-C4' energy: -70.837
flat angles C4'-P-C4' energy: -79.488
flat angles P-C4'-P energy: -46.571
tors. eta vs tors. theta energy: -106.102
Dist. restrs. and SS energy: 0.665 (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: 8
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1168.139474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.139474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.036267 (E_RNA)
where:
Base-Base interactions energy: -817.531
where: short stacking energy: -341.669
Base-Backbone interact. energy: -2.877
local terms energy: -352.627740
where:
bonds (distance) C4'-P energy: -63.845
bonds (distance) P-C4' energy: -76.657
flat angles C4'-P-C4' energy: -71.016
flat angles P-C4'-P energy: -40.927
tors. eta vs tors. theta energy: -100.182
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: 4, replica: 6
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1161.416244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.416244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.384454 (E_RNA)
where:
Base-Base interactions energy: -806.328
where: short stacking energy: -336.031
Base-Backbone interact. energy: -2.513
local terms energy: -355.544188
where:
bonds (distance) C4'-P energy: -70.162
bonds (distance) P-C4' energy: -64.694
flat angles C4'-P-C4' energy: -79.157
flat angles P-C4'-P energy: -42.754
tors. eta vs tors. theta energy: -98.778
Dist. restrs. and SS energy: 2.968 (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: 241
Temperature: 1.100000
Total energy: -1029.822734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.822734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.388183 (E_RNA)
where:
Base-Base interactions energy: -698.681
where: short stacking energy: -288.859
Base-Backbone interact. energy: -2.239
local terms energy: -334.467760
where:
bonds (distance) C4'-P energy: -65.740
bonds (distance) P-C4' energy: -67.854
flat angles C4'-P-C4' energy: -69.646
flat angles P-C4'-P energy: -43.896
tors. eta vs tors. theta energy: -87.331
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: 6, replica: 7
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1012.316447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.316447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.636975 (E_RNA)
where:
Base-Base interactions energy: -704.118
where: short stacking energy: -290.665
Base-Backbone interact. energy: 0.428
local terms energy: -309.946989
where:
bonds (distance) C4'-P energy: -57.323
bonds (distance) P-C4' energy: -57.411
flat angles C4'-P-C4' energy: -66.195
flat angles P-C4'-P energy: -53.683
tors. eta vs tors. theta energy: -75.335
Dist. restrs. and SS energy: 1.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -969.980985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.980985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.346318 (E_RNA)
where:
Base-Base interactions energy: -676.246
where: short stacking energy: -271.438
Base-Backbone interact. energy: 0.441
local terms energy: -300.540801
where:
bonds (distance) C4'-P energy: -57.060
bonds (distance) P-C4' energy: -61.068
flat angles C4'-P-C4' energy: -62.444
flat angles P-C4'-P energy: -49.534
tors. eta vs tors. theta energy: -70.435
Dist. restrs. and SS energy: 6.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -950.929591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.929591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.692414 (E_RNA)
where:
Base-Base interactions energy: -642.629
where: short stacking energy: -253.002
Base-Backbone interact. energy: -3.460
local terms energy: -310.603469
where:
bonds (distance) C4'-P energy: -67.272
bonds (distance) P-C4' energy: -55.540
flat angles C4'-P-C4' energy: -69.268
flat angles P-C4'-P energy: -50.463
tors. eta vs tors. theta energy: -68.061
Dist. restrs. and SS energy: 5.763 (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: 3
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -885.246835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.246835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.830751 (E_RNA)
where:
Base-Base interactions energy: -635.935
where: short stacking energy: -248.588
Base-Backbone interact. energy: 2.296
local terms energy: -256.191924
where:
bonds (distance) C4'-P energy: -46.699
bonds (distance) P-C4' energy: -57.088
flat angles C4'-P-C4' energy: -52.061
flat angles P-C4'-P energy: -43.099
tors. eta vs tors. theta energy: -57.245
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: 10, replica: 10
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -869.915133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.915133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.060287 (E_RNA)
where:
Base-Base interactions energy: -623.932
where: short stacking energy: -235.719
Base-Backbone interact. energy: -0.861
local terms energy: -249.266960
where:
bonds (distance) C4'-P energy: -46.894
bonds (distance) P-C4' energy: -47.202
flat angles C4'-P-C4' energy: -58.198
flat angles P-C4'-P energy: -43.278
tors. eta vs tors. theta energy: -53.694
Dist. restrs. and SS energy: 4.145 (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: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1252.528005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.528005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.287589 (E_RNA)
where:
Base-Base interactions energy: -864.798
where: short stacking energy: -370.022
Base-Backbone interact. energy: -3.333
local terms energy: -389.157275
where:
bonds (distance) C4'-P energy: -69.243
bonds (distance) P-C4' energy: -63.587
flat angles C4'-P-C4' energy: -87.843
flat angles P-C4'-P energy: -56.465
tors. eta vs tors. theta energy: -112.019
Dist. restrs. and SS energy: 4.760 (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: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1233.506321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.506321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.843761 (E_RNA)
where:
Base-Base interactions energy: -848.550
where: short stacking energy: -351.063
Base-Backbone interact. energy: -1.126
local terms energy: -384.168385
where:
bonds (distance) C4'-P energy: -75.038
bonds (distance) P-C4' energy: -67.198
flat angles C4'-P-C4' energy: -77.152
flat angles P-C4'-P energy: -62.572
tors. eta vs tors. theta energy: -102.207
Dist. restrs. and SS energy: 0.337 (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: 6
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1179.558891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.558891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.699581 (E_RNA)
where:
Base-Base interactions energy: -812.058
where: short stacking energy: -348.085
Base-Backbone interact. energy: -2.586
local terms energy: -369.055908
where:
bonds (distance) C4'-P energy: -60.964
bonds (distance) P-C4' energy: -70.337
flat angles C4'-P-C4' energy: -82.354
flat angles P-C4'-P energy: -53.580
tors. eta vs tors. theta energy: -101.822
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: 4, replica: 8
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1167.312068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.312068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.078499 (E_RNA)
where:
Base-Base interactions energy: -823.595
where: short stacking energy: -329.052
Base-Backbone interact. energy: -1.964
local terms energy: -344.519105
where:
bonds (distance) C4'-P energy: -53.832
bonds (distance) P-C4' energy: -64.208
flat angles C4'-P-C4' energy: -75.308
flat angles P-C4'-P energy: -57.236
tors. eta vs tors. theta energy: -93.935
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: 5, replica: 4
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1048.688344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.688344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.541377 (E_RNA)
where:
Base-Base interactions energy: -712.146
where: short stacking energy: -295.408
Base-Backbone interact. energy: -1.148
local terms energy: -339.246976
where:
bonds (distance) C4'-P energy: -58.767
bonds (distance) P-C4' energy: -75.348
flat angles C4'-P-C4' energy: -79.250
flat angles P-C4'-P energy: -43.791
tors. eta vs tors. theta energy: -82.090
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: 6, replica: 7
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1025.229303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.229303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.257877 (E_RNA)
where:
Base-Base interactions energy: -720.072
where: short stacking energy: -288.244
Base-Backbone interact. energy: -4.295
local terms energy: -302.891151
where:
bonds (distance) C4'-P energy: -64.875
bonds (distance) P-C4' energy: -56.678
flat angles C4'-P-C4' energy: -75.011
flat angles P-C4'-P energy: -37.022
tors. eta vs tors. theta energy: -69.305
Dist. restrs. and SS energy: 2.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -967.746638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.746638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.987733 (E_RNA)
where:
Base-Base interactions energy: -691.090
where: short stacking energy: -281.234
Base-Backbone interact. energy: -1.106
local terms energy: -278.791901
where:
bonds (distance) C4'-P energy: -46.435
bonds (distance) P-C4' energy: -61.060
flat angles C4'-P-C4' energy: -60.410
flat angles P-C4'-P energy: -42.620
tors. eta vs tors. theta energy: -68.266
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: 8, replica: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -928.778077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.778077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.600034 (E_RNA)
where:
Base-Base interactions energy: -657.286
where: short stacking energy: -245.527
Base-Backbone interact. energy: 1.014
local terms energy: -280.328508
where:
bonds (distance) C4'-P energy: -66.326
bonds (distance) P-C4' energy: -52.631
flat angles C4'-P-C4' energy: -58.023
flat angles P-C4'-P energy: -41.921
tors. eta vs tors. theta energy: -61.426
Dist. restrs. and SS energy: 7.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -907.332316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.332316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.606883 (E_RNA)
where:
Base-Base interactions energy: -646.875
where: short stacking energy: -249.595
Base-Backbone interact. energy: 1.201
local terms energy: -265.932187
where:
bonds (distance) C4'-P energy: -43.597
bonds (distance) P-C4' energy: -52.137
flat angles C4'-P-C4' energy: -67.396
flat angles P-C4'-P energy: -41.564
tors. eta vs tors. theta energy: -61.239
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: 10, replica: 3
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -863.403989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.403989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.723231 (E_RNA)
where:
Base-Base interactions energy: -621.544
where: short stacking energy: -232.890
Base-Backbone interact. energy: -1.022
local terms energy: -247.156392
where:
bonds (distance) C4'-P energy: -39.708
bonds (distance) P-C4' energy: -54.780
flat angles C4'-P-C4' energy: -59.836
flat angles P-C4'-P energy: -30.103
tors. eta vs tors. theta energy: -62.729
Dist. restrs. and SS energy: 6.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1271.348181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.348181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.294973 (E_RNA)
where:
Base-Base interactions energy: -888.530
where: short stacking energy: -381.278
Base-Backbone interact. energy: -1.652
local terms energy: -387.113081
where:
bonds (distance) C4'-P energy: -64.854
bonds (distance) P-C4' energy: -75.688
flat angles C4'-P-C4' energy: -80.288
flat angles P-C4'-P energy: -57.718
tors. eta vs tors. theta energy: -108.565
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: 2, replica: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1253.332260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.332260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.215432 (E_RNA)
where:
Base-Base interactions energy: -871.545
where: short stacking energy: -367.547
Base-Backbone interact. energy: -1.613
local terms energy: -383.057536
where:
bonds (distance) C4'-P energy: -76.920
bonds (distance) P-C4' energy: -69.637
flat angles C4'-P-C4' energy: -79.899
flat angles P-C4'-P energy: -49.916
tors. eta vs tors. theta energy: -106.686
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: 6
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1150.684927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.684927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.005448 (E_RNA)
where:
Base-Base interactions energy: -806.630
where: short stacking energy: -324.690
Base-Backbone interact. energy: -1.228
local terms energy: -347.147554
where:
bonds (distance) C4'-P energy: -62.520
bonds (distance) P-C4' energy: -58.678
flat angles C4'-P-C4' energy: -74.576
flat angles P-C4'-P energy: -59.935
tors. eta vs tors. theta energy: -91.440
Dist. restrs. and SS energy: 4.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1161.410871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.410871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.314265 (E_RNA)
where:
Base-Base interactions energy: -793.043
where: short stacking energy: -330.547
Base-Backbone interact. energy: 0.677
local terms energy: -371.948380
where:
bonds (distance) C4'-P energy: -71.858
bonds (distance) P-C4' energy: -67.796
flat angles C4'-P-C4' energy: -82.509
flat angles P-C4'-P energy: -50.789
tors. eta vs tors. theta energy: -98.996
Dist. restrs. and SS energy: 2.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1048.582404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.582404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.520707 (E_RNA)
where:
Base-Base interactions energy: -740.211
where: short stacking energy: -313.524
Base-Backbone interact. energy: -1.117
local terms energy: -315.192995
where:
bonds (distance) C4'-P energy: -56.184
bonds (distance) P-C4' energy: -56.413
flat angles C4'-P-C4' energy: -76.425
flat angles P-C4'-P energy: -39.154
tors. eta vs tors. theta energy: -87.017
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: 6, replica: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1017.984280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.984280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.001761 (E_RNA)
where:
Base-Base interactions energy: -709.973
where: short stacking energy: -283.944
Base-Backbone interact. energy: -0.006
local terms energy: -309.022456
where:
bonds (distance) C4'-P energy: -49.950
bonds (distance) P-C4' energy: -76.795
flat angles C4'-P-C4' energy: -77.078
flat angles P-C4'-P energy: -36.308
tors. eta vs tors. theta energy: -68.891
Dist. restrs. and SS energy: 1.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -971.857945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.857945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.605836 (E_RNA)
where:
Base-Base interactions energy: -671.741
where: short stacking energy: -271.836
Base-Backbone interact. energy: -0.626
local terms energy: -302.239196
where:
bonds (distance) C4'-P energy: -51.824
bonds (distance) P-C4' energy: -57.529
flat angles C4'-P-C4' energy: -68.783
flat angles P-C4'-P energy: -45.085
tors. eta vs tors. theta energy: -79.019
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: 8, replica: 10
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -926.861255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.861255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.018995 (E_RNA)
where:
Base-Base interactions energy: -651.705
where: short stacking energy: -248.190
Base-Backbone interact. energy: -1.040
local terms energy: -275.274228
where:
bonds (distance) C4'-P energy: -45.989
bonds (distance) P-C4' energy: -62.258
flat angles C4'-P-C4' energy: -61.400
flat angles P-C4'-P energy: -48.266
tors. eta vs tors. theta energy: -57.362
Dist. restrs. and SS energy: 1.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -913.414891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.414891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.790497 (E_RNA)
where:
Base-Base interactions energy: -668.160
where: short stacking energy: -258.285
Base-Backbone interact. energy: -1.050
local terms energy: -248.581129
where:
bonds (distance) C4'-P energy: -52.453
bonds (distance) P-C4' energy: -45.452
flat angles C4'-P-C4' energy: -56.184
flat angles P-C4'-P energy: -32.666
tors. eta vs tors. theta energy: -61.826
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: 10, replica: 3
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -897.168967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.168967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.000665 (E_RNA)
where:
Base-Base interactions energy: -630.688
where: short stacking energy: -260.468
Base-Backbone interact. energy: -0.215
local terms energy: -270.098385
where:
bonds (distance) C4'-P energy: -44.655
bonds (distance) P-C4' energy: -64.159
flat angles C4'-P-C4' energy: -62.147
flat angles P-C4'-P energy: -30.960
tors. eta vs tors. theta energy: -68.178
Dist. restrs. and SS energy: 3.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1257.183818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.183818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.257559 (E_RNA)
where:
Base-Base interactions energy: -883.284
where: short stacking energy: -364.183
Base-Backbone interact. energy: -2.499
local terms energy: -377.475138
where:
bonds (distance) C4'-P energy: -66.101
bonds (distance) P-C4' energy: -70.132
flat angles C4'-P-C4' energy: -84.284
flat angles P-C4'-P energy: -49.603
tors. eta vs tors. theta energy: -107.355
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: 2, replica: 2
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1240.288020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.288020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.384391 (E_RNA)
where:
Base-Base interactions energy: -847.671
where: short stacking energy: -355.203
Base-Backbone interact. energy: -2.219
local terms energy: -393.494000
where:
bonds (distance) C4'-P energy: -74.404
bonds (distance) P-C4' energy: -75.789
flat angles C4'-P-C4' energy: -83.208
flat angles P-C4'-P energy: -54.765
tors. eta vs tors. theta energy: -105.329
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: 3, replica: 8
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1189.406621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.406621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.200207 (E_RNA)
where:
Base-Base interactions energy: -840.996
where: short stacking energy: -363.804
Base-Backbone interact. energy: -2.847
local terms energy: -349.357143
where:
bonds (distance) C4'-P energy: -67.002
bonds (distance) P-C4' energy: -58.686
flat angles C4'-P-C4' energy: -75.495
flat angles P-C4'-P energy: -42.646
tors. eta vs tors. theta energy: -105.528
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: 4, replica: 6
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1118.650348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.650348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.213574 (E_RNA)
where:
Base-Base interactions energy: -793.519
where: short stacking energy: -335.419
Base-Backbone interact. energy: -0.968
local terms energy: -330.726720
where:
bonds (distance) C4'-P energy: -51.114
bonds (distance) P-C4' energy: -65.936
flat angles C4'-P-C4' energy: -68.038
flat angles P-C4'-P energy: -45.232
tors. eta vs tors. theta energy: -100.406
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: 5, replica: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1082.280626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.280626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.958979 (E_RNA)
where:
Base-Base interactions energy: -753.999
where: short stacking energy: -303.470
Base-Backbone interact. energy: -1.217
local terms energy: -327.742765
where:
bonds (distance) C4'-P energy: -63.435
bonds (distance) P-C4' energy: -75.839
flat angles C4'-P-C4' energy: -68.360
flat angles P-C4'-P energy: -40.957
tors. eta vs tors. theta energy: -79.152
Dist. restrs. and SS energy: 0.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -984.267113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.267113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.996889 (E_RNA)
where:
Base-Base interactions energy: -676.359
where: short stacking energy: -289.473
Base-Backbone interact. energy: -0.585
local terms energy: -312.052455
where:
bonds (distance) C4'-P energy: -52.862
bonds (distance) P-C4' energy: -64.438
flat angles C4'-P-C4' energy: -66.023
flat angles P-C4'-P energy: -53.923
tors. eta vs tors. theta energy: -74.807
Dist. restrs. and SS energy: 4.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -989.547990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.547990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.366964 (E_RNA)
where:
Base-Base interactions energy: -693.534
where: short stacking energy: -279.216
Base-Backbone interact. energy: -1.175
local terms energy: -298.658435
where:
bonds (distance) C4'-P energy: -58.252
bonds (distance) P-C4' energy: -62.276
flat angles C4'-P-C4' energy: -71.057
flat angles P-C4'-P energy: -46.225
tors. eta vs tors. theta energy: -60.849
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: 244
Temperature: 1.250000
Total energy: -921.053685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.053685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.909700 (E_RNA)
where:
Base-Base interactions energy: -650.098
where: short stacking energy: -233.123
Base-Backbone interact. energy: -1.250
local terms energy: -274.561015
where:
bonds (distance) C4'-P energy: -57.477
bonds (distance) P-C4' energy: -58.521
flat angles C4'-P-C4' energy: -62.629
flat angles P-C4'-P energy: -36.709
tors. eta vs tors. theta energy: -59.225
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: 9, replica: 1
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -964.514389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.514389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.100304 (E_RNA)
where:
Base-Base interactions energy: -686.772
where: short stacking energy: -279.490
Base-Backbone interact. energy: -2.246
local terms energy: -279.082434
where:
bonds (distance) C4'-P energy: -49.653
bonds (distance) P-C4' energy: -61.197
flat angles C4'-P-C4' energy: -59.304
flat angles P-C4'-P energy: -43.800
tors. eta vs tors. theta energy: -65.129
Dist. restrs. and SS energy: 3.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -854.123181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.123181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.607509 (E_RNA)
where:
Base-Base interactions energy: -616.624
where: short stacking energy: -223.509
Base-Backbone interact. energy: 0.202
local terms energy: -240.185439
where:
bonds (distance) C4'-P energy: -51.383
bonds (distance) P-C4' energy: -55.880
flat angles C4'-P-C4' energy: -48.930
flat angles P-C4'-P energy: -38.144
tors. eta vs tors. theta energy: -45.848
Dist. restrs. and SS energy: 2.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1246.099777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.099777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.345915 (E_RNA)
where:
Base-Base interactions energy: -863.905
where: short stacking energy: -361.689
Base-Backbone interact. energy: -3.863
local terms energy: -387.577652
where:
bonds (distance) C4'-P energy: -75.889
bonds (distance) P-C4' energy: -75.858
flat angles C4'-P-C4' energy: -77.841
flat angles P-C4'-P energy: -53.162
tors. eta vs tors. theta energy: -104.827
Dist. restrs. and SS energy: 9.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1226.324277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.324277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.489430 (E_RNA)
where:
Base-Base interactions energy: -850.121
where: short stacking energy: -357.903
Base-Backbone interact. energy: 7.944
local terms energy: -387.311993
where:
bonds (distance) C4'-P energy: -67.871
bonds (distance) P-C4' energy: -72.691
flat angles C4'-P-C4' energy: -81.960
flat angles P-C4'-P energy: -58.363
tors. eta vs tors. theta energy: -106.426
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: 8
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1177.554485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.554485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.273875 (E_RNA)
where:
Base-Base interactions energy: -817.880
where: short stacking energy: -327.198
Base-Backbone interact. energy: 0.395
local terms energy: -363.788758
where:
bonds (distance) C4'-P energy: -64.403
bonds (distance) P-C4' energy: -73.115
flat angles C4'-P-C4' energy: -76.006
flat angles P-C4'-P energy: -51.039
tors. eta vs tors. theta energy: -99.226
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: 4, replica: 7
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1092.136367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.136367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.898250 (E_RNA)
where:
Base-Base interactions energy: -740.792
where: short stacking energy: -288.957
Base-Backbone interact. energy: -0.739
local terms energy: -353.367889
where:
bonds (distance) C4'-P energy: -62.732
bonds (distance) P-C4' energy: -73.942
flat angles C4'-P-C4' energy: -75.350
flat angles P-C4'-P energy: -51.803
tors. eta vs tors. theta energy: -89.541
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: 5, replica: 6
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1096.015990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.015990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.909247 (E_RNA)
where:
Base-Base interactions energy: -750.058
where: short stacking energy: -311.939
Base-Backbone interact. energy: -1.917
local terms energy: -350.934430
where:
bonds (distance) C4'-P energy: -67.788
bonds (distance) P-C4' energy: -71.024
flat angles C4'-P-C4' energy: -70.817
flat angles P-C4'-P energy: -45.809
tors. eta vs tors. theta energy: -95.497
Dist. restrs. and SS energy: 6.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -996.717895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.717895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.609355 (E_RNA)
where:
Base-Base interactions energy: -697.317
where: short stacking energy: -301.238
Base-Backbone interact. energy: 0.706
local terms energy: -306.998349
where:
bonds (distance) C4'-P energy: -66.015
bonds (distance) P-C4' energy: -58.791
flat angles C4'-P-C4' energy: -57.222
flat angles P-C4'-P energy: -40.792
tors. eta vs tors. theta energy: -84.178
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: 7, replica: 5
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -977.594848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.594848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.025892 (E_RNA)
where:
Base-Base interactions energy: -684.903
where: short stacking energy: -276.110
Base-Backbone interact. energy: -1.866
local terms energy: -295.257289
where:
bonds (distance) C4'-P energy: -53.408
bonds (distance) P-C4' energy: -55.570
flat angles C4'-P-C4' energy: -66.009
flat angles P-C4'-P energy: -50.347
tors. eta vs tors. theta energy: -69.923
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: 8, replica: 10
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -951.307948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.307948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.550997 (E_RNA)
where:
Base-Base interactions energy: -679.055
where: short stacking energy: -267.843
Base-Backbone interact. energy: -1.914
local terms energy: -282.582075
where:
bonds (distance) C4'-P energy: -49.823
bonds (distance) P-C4' energy: -56.902
flat angles C4'-P-C4' energy: -61.919
flat angles P-C4'-P energy: -42.535
tors. eta vs tors. theta energy: -71.403
Dist. restrs. and SS energy: 12.243 (S_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: 245
Temperature: 1.300000
Total energy: -923.844851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.844851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.781769 (E_RNA)
where:
Base-Base interactions energy: -650.549
where: short stacking energy: -252.634
Base-Backbone interact. energy: 0.534
local terms energy: -281.766488
where:
bonds (distance) C4'-P energy: -48.318
bonds (distance) P-C4' energy: -67.798
flat angles C4'-P-C4' energy: -70.199
flat angles P-C4'-P energy: -39.000
tors. eta vs tors. theta energy: -56.451
Dist. restrs. and SS energy: 7.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -887.916980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.916980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.450497 (E_RNA)
where:
Base-Base interactions energy: -641.756
where: short stacking energy: -257.542
Base-Backbone interact. energy: 1.777
local terms energy: -252.471811
where:
bonds (distance) C4'-P energy: -32.358
bonds (distance) P-C4' energy: -51.455
flat angles C4'-P-C4' energy: -55.102
flat angles P-C4'-P energy: -51.277
tors. eta vs tors. theta energy: -62.279
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: 9
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1258.923352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.923352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.437292 (E_RNA)
where:
Base-Base interactions energy: -894.343
where: short stacking energy: -373.385
Base-Backbone interact. energy: -2.677
local terms energy: -367.417236
where:
bonds (distance) C4'-P energy: -61.553
bonds (distance) P-C4' energy: -68.917
flat angles C4'-P-C4' energy: -71.792
flat angles P-C4'-P energy: -57.687
tors. eta vs tors. theta energy: -107.468
Dist. restrs. and SS energy: 5.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1227.556696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.556696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.604542 (E_RNA)
where:
Base-Base interactions energy: -858.640
where: short stacking energy: -348.160
Base-Backbone interact. energy: -3.674
local terms energy: -369.290584
where:
bonds (distance) C4'-P energy: -64.514
bonds (distance) P-C4' energy: -72.768
flat angles C4'-P-C4' energy: -77.839
flat angles P-C4'-P energy: -47.118
tors. eta vs tors. theta energy: -107.052
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: 3, replica: 7
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1131.111619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.111619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.245490 (E_RNA)
where:
Base-Base interactions energy: -795.642
where: short stacking energy: -339.449
Base-Backbone interact. energy: -3.330
local terms energy: -336.273906
where:
bonds (distance) C4'-P energy: -62.507
bonds (distance) P-C4' energy: -61.634
flat angles C4'-P-C4' energy: -69.666
flat angles P-C4'-P energy: -43.746
tors. eta vs tors. theta energy: -98.720
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: 4, replica: 8
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1146.188529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.188529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.473282 (E_RNA)
where:
Base-Base interactions energy: -820.841
where: short stacking energy: -325.520
Base-Backbone interact. energy: -1.116
local terms energy: -328.516245
where:
bonds (distance) C4'-P energy: -56.888
bonds (distance) P-C4' energy: -70.226
flat angles C4'-P-C4' energy: -63.259
flat angles P-C4'-P energy: -49.427
tors. eta vs tors. theta energy: -88.717
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: 5, replica: 6
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1113.470607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.470607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.731318 (E_RNA)
where:
Base-Base interactions energy: -776.559
where: short stacking energy: -339.414
Base-Backbone interact. energy: -1.735
local terms energy: -338.437118
where:
bonds (distance) C4'-P energy: -64.762
bonds (distance) P-C4' energy: -59.765
flat angles C4'-P-C4' energy: -67.750
flat angles P-C4'-P energy: -45.165
tors. eta vs tors. theta energy: -100.994
Dist. restrs. and SS energy: 3.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1040.213382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.213382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.386206 (E_RNA)
where:
Base-Base interactions energy: -726.459
where: short stacking energy: -305.253
Base-Backbone interact. energy: -2.757
local terms energy: -320.169293
where:
bonds (distance) C4'-P energy: -58.928
bonds (distance) P-C4' energy: -60.091
flat angles C4'-P-C4' energy: -75.465
flat angles P-C4'-P energy: -39.064
tors. eta vs tors. theta energy: -86.621
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: 7, replica: 10
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -954.362662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.362662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.452785 (E_RNA)
where:
Base-Base interactions energy: -674.476
where: short stacking energy: -265.495
Base-Backbone interact. energy: -0.625
local terms energy: -284.351799
where:
bonds (distance) C4'-P energy: -46.010
bonds (distance) P-C4' energy: -71.829
flat angles C4'-P-C4' energy: -61.605
flat angles P-C4'-P energy: -40.633
tors. eta vs tors. theta energy: -64.275
Dist. restrs. and SS energy: 5.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -975.531400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.531400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.779633 (E_RNA)
where:
Base-Base interactions energy: -694.549
where: short stacking energy: -271.163
Base-Backbone interact. energy: 3.287
local terms energy: -288.517670
where:
bonds (distance) C4'-P energy: -56.460
bonds (distance) P-C4' energy: -61.311
flat angles C4'-P-C4' energy: -59.493
flat angles P-C4'-P energy: -45.167
tors. eta vs tors. theta energy: -66.087
Dist. restrs. and SS energy: 4.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -873.245130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.245130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.957153 (E_RNA)
where:
Base-Base interactions energy: -602.318
where: short stacking energy: -231.516
Base-Backbone interact. energy: -0.914
local terms energy: -276.724811
where:
bonds (distance) C4'-P energy: -64.161
bonds (distance) P-C4' energy: -54.228
flat angles C4'-P-C4' energy: -63.871
flat angles P-C4'-P energy: -42.001
tors. eta vs tors. theta energy: -52.464
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: 10, replica: 1
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -882.571464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.571464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.542900 (E_RNA)
where:
Base-Base interactions energy: -613.455
where: short stacking energy: -235.011
Base-Backbone interact. energy: 4.697
local terms energy: -276.785268
where:
bonds (distance) C4'-P energy: -52.508
bonds (distance) P-C4' energy: -65.526
flat angles C4'-P-C4' energy: -69.970
flat angles P-C4'-P energy: -38.743
tors. eta vs tors. theta energy: -50.038
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: 1, replica: 9
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1266.142010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.142010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.712156 (E_RNA)
where:
Base-Base interactions energy: -892.984
where: short stacking energy: -366.828
Base-Backbone interact. energy: -1.722
local terms energy: -377.007039
where:
bonds (distance) C4'-P energy: -58.579
bonds (distance) P-C4' energy: -72.580
flat angles C4'-P-C4' energy: -80.636
flat angles P-C4'-P energy: -60.312
tors. eta vs tors. theta energy: -104.900
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: 2, replica: 2
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1247.132569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.132569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.389083 (E_RNA)
where:
Base-Base interactions energy: -874.869
where: short stacking energy: -365.280
Base-Backbone interact. energy: -0.167
local terms energy: -375.352889
where:
bonds (distance) C4'-P energy: -67.876
bonds (distance) P-C4' energy: -64.278
flat angles C4'-P-C4' energy: -77.134
flat angles P-C4'-P energy: -61.810
tors. eta vs tors. theta energy: -104.255
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: 3, replica: 7
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1126.748834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.748834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.613465 (E_RNA)
where:
Base-Base interactions energy: -798.972
where: short stacking energy: -322.125
Base-Backbone interact. energy: -1.252
local terms energy: -329.389224
where:
bonds (distance) C4'-P energy: -63.067
bonds (distance) P-C4' energy: -66.768
flat angles C4'-P-C4' energy: -67.978
flat angles P-C4'-P energy: -48.005
tors. eta vs tors. theta energy: -83.572
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: 4, replica: 8
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1146.771643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.771643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.971592 (E_RNA)
where:
Base-Base interactions energy: -804.418
where: short stacking energy: -315.320
Base-Backbone interact. energy: -1.282
local terms energy: -344.271690
where:
bonds (distance) C4'-P energy: -55.542
bonds (distance) P-C4' energy: -72.065
flat angles C4'-P-C4' energy: -76.145
flat angles P-C4'-P energy: -49.212
tors. eta vs tors. theta energy: -91.309
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: 5, replica: 6
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1067.281700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.281700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.131156 (E_RNA)
where:
Base-Base interactions energy: -741.817
where: short stacking energy: -286.449
Base-Backbone interact. energy: 1.542
local terms energy: -328.856067
where:
bonds (distance) C4'-P energy: -71.060
bonds (distance) P-C4' energy: -57.110
flat angles C4'-P-C4' energy: -72.294
flat angles P-C4'-P energy: -41.291
tors. eta vs tors. theta energy: -87.100
Dist. restrs. and SS energy: 1.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -999.792674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.792674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.501826 (E_RNA)
where:
Base-Base interactions energy: -700.509
where: short stacking energy: -285.165
Base-Backbone interact. energy: -1.506
local terms energy: -307.487396
where:
bonds (distance) C4'-P energy: -54.587
bonds (distance) P-C4' energy: -56.824
flat angles C4'-P-C4' energy: -59.066
flat angles P-C4'-P energy: -54.751
tors. eta vs tors. theta energy: -82.260
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: 7, replica: 4
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1007.954578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.954578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.348416 (E_RNA)
where:
Base-Base interactions energy: -700.559
where: short stacking energy: -280.559
Base-Backbone interact. energy: 0.374
local terms energy: -316.163116
where:
bonds (distance) C4'-P energy: -59.024
bonds (distance) P-C4' energy: -73.591
flat angles C4'-P-C4' energy: -70.938
flat angles P-C4'-P energy: -39.188
tors. eta vs tors. theta energy: -73.421
Dist. restrs. and SS energy: 8.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -930.817421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.817421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.320186 (E_RNA)
where:
Base-Base interactions energy: -655.055
where: short stacking energy: -255.153
Base-Backbone interact. energy: -1.386
local terms energy: -278.879640
where:
bonds (distance) C4'-P energy: -57.173
bonds (distance) P-C4' energy: -56.092
flat angles C4'-P-C4' energy: -67.051
flat angles P-C4'-P energy: -36.816
tors. eta vs tors. theta energy: -61.748
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: 9, replica: 3
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -937.336529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.336529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.649963 (E_RNA)
where:
Base-Base interactions energy: -648.861
where: short stacking energy: -264.408
Base-Backbone interact. energy: -2.321
local terms energy: -298.468158
where:
bonds (distance) C4'-P energy: -54.953
bonds (distance) P-C4' energy: -59.621
flat angles C4'-P-C4' energy: -76.202
flat angles P-C4'-P energy: -44.763
tors. eta vs tors. theta energy: -62.929
Dist. restrs. and SS energy: 12.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -877.840119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.840119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.050449 (E_RNA)
where:
Base-Base interactions energy: -614.467
where: short stacking energy: -225.830
Base-Backbone interact. energy: -0.911
local terms energy: -267.673257
where:
bonds (distance) C4'-P energy: -58.536
bonds (distance) P-C4' energy: -56.390
flat angles C4'-P-C4' energy: -65.033
flat angles P-C4'-P energy: -30.330
tors. eta vs tors. theta energy: -57.384
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: 1, replica: 2
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1267.265129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.265129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.181511 (E_RNA)
where:
Base-Base interactions energy: -895.969
where: short stacking energy: -367.944
Base-Backbone interact. energy: -2.031
local terms energy: -373.181138
where:
bonds (distance) C4'-P energy: -68.311
bonds (distance) P-C4' energy: -74.725
flat angles C4'-P-C4' energy: -74.814
flat angles P-C4'-P energy: -51.226
tors. eta vs tors. theta energy: -104.106
Dist. restrs. and SS energy: 3.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1242.927985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.927985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.522756 (E_RNA)
where:
Base-Base interactions energy: -870.268
where: short stacking energy: -360.035
Base-Backbone interact. energy: -0.479
local terms energy: -377.775754
where:
bonds (distance) C4'-P energy: -62.321
bonds (distance) P-C4' energy: -71.043
flat angles C4'-P-C4' energy: -84.162
flat angles P-C4'-P energy: -49.897
tors. eta vs tors. theta energy: -110.352
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: 3, replica: 8
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1172.494757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.494757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.141499 (E_RNA)
where:
Base-Base interactions energy: -829.613
where: short stacking energy: -332.644
Base-Backbone interact. energy: -1.868
local terms energy: -343.660460
where:
bonds (distance) C4'-P energy: -57.932
bonds (distance) P-C4' energy: -56.261
flat angles C4'-P-C4' energy: -77.025
flat angles P-C4'-P energy: -61.094
tors. eta vs tors. theta energy: -91.349
Dist. restrs. and SS energy: 2.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1110.092905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.092905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.189238 (E_RNA)
where:
Base-Base interactions energy: -787.520
where: short stacking energy: -316.962
Base-Backbone interact. energy: -2.402
local terms energy: -324.267364
where:
bonds (distance) C4'-P energy: -58.052
bonds (distance) P-C4' energy: -62.442
flat angles C4'-P-C4' energy: -69.180
flat angles P-C4'-P energy: -49.939
tors. eta vs tors. theta energy: -84.654
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: 5, replica: 6
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1087.134450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.134450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.497861 (E_RNA)
where:
Base-Base interactions energy: -756.063
where: short stacking energy: -288.738
Base-Backbone interact. energy: -2.170
local terms energy: -332.264873
where:
bonds (distance) C4'-P energy: -59.059
bonds (distance) P-C4' energy: -73.684
flat angles C4'-P-C4' energy: -69.556
flat angles P-C4'-P energy: -51.271
tors. eta vs tors. theta energy: -78.695
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: 10
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1025.036631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.036631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.754086 (E_RNA)
where:
Base-Base interactions energy: -708.191
where: short stacking energy: -289.724
Base-Backbone interact. energy: -1.095
local terms energy: -328.468175
where:
bonds (distance) C4'-P energy: -64.503
bonds (distance) P-C4' energy: -58.976
flat angles C4'-P-C4' energy: -74.810
flat angles P-C4'-P energy: -52.772
tors. eta vs tors. theta energy: -77.406
Dist. restrs. and SS energy: 12.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -976.276431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.276431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.246846 (E_RNA)
where:
Base-Base interactions energy: -674.242
where: short stacking energy: -285.798
Base-Backbone interact. energy: 1.020
local terms energy: -311.024993
where:
bonds (distance) C4'-P energy: -44.026
bonds (distance) P-C4' energy: -70.967
flat angles C4'-P-C4' energy: -66.278
flat angles P-C4'-P energy: -52.452
tors. eta vs tors. theta energy: -77.301
Dist. restrs. and SS energy: 7.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -942.450016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.450016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.845097 (E_RNA)
where:
Base-Base interactions energy: -657.169
where: short stacking energy: -260.392
Base-Backbone interact. energy: 0.120
local terms energy: -291.795855
where:
bonds (distance) C4'-P energy: -67.055
bonds (distance) P-C4' energy: -57.950
flat angles C4'-P-C4' energy: -61.629
flat angles P-C4'-P energy: -38.306
tors. eta vs tors. theta energy: -66.856
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: 9, replica: 3
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -890.587657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.587657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.184225 (E_RNA)
where:
Base-Base interactions energy: -634.381
where: short stacking energy: -254.724
Base-Backbone interact. energy: -2.209
local terms energy: -264.594320
where:
bonds (distance) C4'-P energy: -48.393
bonds (distance) P-C4' energy: -54.163
flat angles C4'-P-C4' energy: -54.279
flat angles P-C4'-P energy: -48.881
tors. eta vs tors. theta energy: -58.878
Dist. restrs. and SS energy: 10.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -886.874253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.874253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.653957 (E_RNA)
where:
Base-Base interactions energy: -628.408
where: short stacking energy: -236.851
Base-Backbone interact. energy: -2.146
local terms energy: -260.099862
where:
bonds (distance) C4'-P energy: -50.848
bonds (distance) P-C4' energy: -57.283
flat angles C4'-P-C4' energy: -55.991
flat angles P-C4'-P energy: -42.081
tors. eta vs tors. theta energy: -53.897
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: 1, replica: 2
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1266.976489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.976489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.787189 (E_RNA)
where:
Base-Base interactions energy: -866.445
where: short stacking energy: -365.172
Base-Backbone interact. energy: -2.118
local terms energy: -400.225016
where:
bonds (distance) C4'-P energy: -66.947
bonds (distance) P-C4' energy: -76.894
flat angles C4'-P-C4' energy: -87.962
flat angles P-C4'-P energy: -61.440
tors. eta vs tors. theta energy: -106.983
Dist. restrs. and SS energy: 1.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1238.969102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.969102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.062753 (E_RNA)
where:
Base-Base interactions energy: -878.467
where: short stacking energy: -362.329
Base-Backbone interact. energy: 0.789
local terms energy: -367.384123
where:
bonds (distance) C4'-P energy: -61.239
bonds (distance) P-C4' energy: -72.567
flat angles C4'-P-C4' energy: -73.250
flat angles P-C4'-P energy: -52.916
tors. eta vs tors. theta energy: -107.414
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: 3, replica: 8
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1168.950445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.950445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.344111 (E_RNA)
where:
Base-Base interactions energy: -806.025
where: short stacking energy: -344.894
Base-Backbone interact. energy: -3.193
local terms energy: -362.126241
where:
bonds (distance) C4'-P energy: -61.712
bonds (distance) P-C4' energy: -70.235
flat angles C4'-P-C4' energy: -76.149
flat angles P-C4'-P energy: -59.778
tors. eta vs tors. theta energy: -94.253
Dist. restrs. and SS energy: 2.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1188.058413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.058413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.306756 (E_RNA)
where:
Base-Base interactions energy: -803.180
where: short stacking energy: -349.650
Base-Backbone interact. energy: -2.891
local terms energy: -384.235450
where:
bonds (distance) C4'-P energy: -81.251
bonds (distance) P-C4' energy: -65.350
flat angles C4'-P-C4' energy: -81.200
flat angles P-C4'-P energy: -54.075
tors. eta vs tors. theta energy: -102.360
Dist. restrs. and SS energy: 2.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1055.087637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.087637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.102047 (E_RNA)
where:
Base-Base interactions energy: -744.421
where: short stacking energy: -304.922
Base-Backbone interact. energy: 1.318
local terms energy: -315.998756
where:
bonds (distance) C4'-P energy: -63.101
bonds (distance) P-C4' energy: -59.851
flat angles C4'-P-C4' energy: -67.987
flat angles P-C4'-P energy: -47.868
tors. eta vs tors. theta energy: -77.191
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: 6, replica: 10
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1029.157432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.157432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.415234 (E_RNA)
where:
Base-Base interactions energy: -715.482
where: short stacking energy: -284.314
Base-Backbone interact. energy: -1.800
local terms energy: -316.133610
where:
bonds (distance) C4'-P energy: -56.956
bonds (distance) P-C4' energy: -59.697
flat angles C4'-P-C4' energy: -73.583
flat angles P-C4'-P energy: -49.273
tors. eta vs tors. theta energy: -76.623
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: 4
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1016.472509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.472509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.232717 (E_RNA)
where:
Base-Base interactions energy: -702.730
where: short stacking energy: -281.093
Base-Backbone interact. energy: -0.309
local terms energy: -317.193829
where:
bonds (distance) C4'-P energy: -62.872
bonds (distance) P-C4' energy: -53.201
flat angles C4'-P-C4' energy: -67.755
flat angles P-C4'-P energy: -53.286
tors. eta vs tors. theta energy: -80.080
Dist. restrs. and SS energy: 3.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -930.805149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.805149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.765509 (E_RNA)
where:
Base-Base interactions energy: -664.069
where: short stacking energy: -261.185
Base-Backbone interact. energy: 0.150
local terms energy: -281.845955
where:
bonds (distance) C4'-P energy: -54.696
bonds (distance) P-C4' energy: -65.685
flat angles C4'-P-C4' energy: -64.041
flat angles P-C4'-P energy: -37.401
tors. eta vs tors. theta energy: -60.023
Dist. restrs. and SS energy: 14.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -934.669025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.669025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.760332 (E_RNA)
where:
Base-Base interactions energy: -658.194
where: short stacking energy: -264.229
Base-Backbone interact. energy: -0.793
local terms energy: -282.773510
where:
bonds (distance) C4'-P energy: -51.792
bonds (distance) P-C4' energy: -57.861
flat angles C4'-P-C4' energy: -62.763
flat angles P-C4'-P energy: -43.125
tors. eta vs tors. theta energy: -67.232
Dist. restrs. and SS energy: 7.091 (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: 1
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -888.007515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.007515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.065052 (E_RNA)
where:
Base-Base interactions energy: -623.855
where: short stacking energy: -236.973
Base-Backbone interact. energy: -2.311
local terms energy: -266.899226
where:
bonds (distance) C4'-P energy: -48.618
bonds (distance) P-C4' energy: -68.531
flat angles C4'-P-C4' energy: -60.464
flat angles P-C4'-P energy: -31.962
tors. eta vs tors. theta energy: -57.325
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: 1, replica: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1262.056953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.056953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.665417 (E_RNA)
where:
Base-Base interactions energy: -886.360
where: short stacking energy: -376.721
Base-Backbone interact. energy: -1.319
local terms energy: -377.986332
where:
bonds (distance) C4'-P energy: -58.045
bonds (distance) P-C4' energy: -71.000
flat angles C4'-P-C4' energy: -83.060
flat angles P-C4'-P energy: -51.345
tors. eta vs tors. theta energy: -114.535
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: 2, replica: 9
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1226.471602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.471602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.228001 (E_RNA)
where:
Base-Base interactions energy: -856.627
where: short stacking energy: -338.763
Base-Backbone interact. energy: -2.949
local terms energy: -371.651858
where:
bonds (distance) C4'-P energy: -72.331
bonds (distance) P-C4' energy: -73.718
flat angles C4'-P-C4' energy: -67.340
flat angles P-C4'-P energy: -58.953
tors. eta vs tors. theta energy: -99.311
Dist. restrs. and SS energy: 4.756 (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: 6
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1188.891712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.891712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.100519 (E_RNA)
where:
Base-Base interactions energy: -830.700
where: short stacking energy: -368.559
Base-Backbone interact. energy: -0.710
local terms energy: -360.690711
where:
bonds (distance) C4'-P energy: -63.086
bonds (distance) P-C4' energy: -74.735
flat angles C4'-P-C4' energy: -75.177
flat angles P-C4'-P energy: -47.017
tors. eta vs tors. theta energy: -100.676
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: 4, replica: 8
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1116.465411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.465411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.495911 (E_RNA)
where:
Base-Base interactions energy: -787.985
where: short stacking energy: -322.755
Base-Backbone interact. energy: -1.761
local terms energy: -329.750523
where:
bonds (distance) C4'-P energy: -53.677
bonds (distance) P-C4' energy: -55.081
flat angles C4'-P-C4' energy: -82.893
flat angles P-C4'-P energy: -45.079
tors. eta vs tors. theta energy: -93.021
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: 7
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1039.623396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.623396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.849123 (E_RNA)
where:
Base-Base interactions energy: -718.724
where: short stacking energy: -297.725
Base-Backbone interact. energy: -1.526
local terms energy: -323.599292
where:
bonds (distance) C4'-P energy: -62.766
bonds (distance) P-C4' energy: -59.331
flat angles C4'-P-C4' energy: -78.605
flat angles P-C4'-P energy: -45.793
tors. eta vs tors. theta energy: -77.104
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: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1047.862259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.862259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.081442 (E_RNA)
where:
Base-Base interactions energy: -738.521
where: short stacking energy: -291.664
Base-Backbone interact. energy: -1.781
local terms energy: -308.779789
where:
bonds (distance) C4'-P energy: -52.476
bonds (distance) P-C4' energy: -62.019
flat angles C4'-P-C4' energy: -67.252
flat angles P-C4'-P energy: -50.003
tors. eta vs tors. theta energy: -77.030
Dist. restrs. and SS energy: 1.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -990.020751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.020751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.252157 (E_RNA)
where:
Base-Base interactions energy: -676.337
where: short stacking energy: -280.144
Base-Backbone interact. energy: -1.621
local terms energy: -320.293879
where:
bonds (distance) C4'-P energy: -53.243
bonds (distance) P-C4' energy: -61.340
flat angles C4'-P-C4' energy: -73.077
flat angles P-C4'-P energy: -52.691
tors. eta vs tors. theta energy: -79.943
Dist. restrs. and SS energy: 8.231 (S_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: 250
Temperature: 1.250000
Total energy: -940.527347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.527347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.452791 (E_RNA)
where:
Base-Base interactions energy: -646.664
where: short stacking energy: -250.825
Base-Backbone interact. energy: 1.009
local terms energy: -302.798151
where:
bonds (distance) C4'-P energy: -59.251
bonds (distance) P-C4' energy: -58.847
flat angles C4'-P-C4' energy: -70.261
flat angles P-C4'-P energy: -43.845
tors. eta vs tors. theta energy: -70.594
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: 9, replica: 5
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -938.965949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.965949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.380610 (E_RNA)
where:
Base-Base interactions energy: -659.828
where: short stacking energy: -262.360
Base-Backbone interact. energy: -0.325
local terms energy: -283.227702
where:
bonds (distance) C4'-P energy: -62.982
bonds (distance) P-C4' energy: -48.895
flat angles C4'-P-C4' energy: -67.048
flat angles P-C4'-P energy: -39.724
tors. eta vs tors. theta energy: -64.578
Dist. restrs. and SS energy: 4.415 (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: 1
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -883.994855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.994855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.030419 (E_RNA)
where:
Base-Base interactions energy: -620.948
where: short stacking energy: -250.472
Base-Backbone interact. energy: 1.372
local terms energy: -276.454702
where:
bonds (distance) C4'-P energy: -47.034
bonds (distance) P-C4' energy: -57.881
flat angles C4'-P-C4' energy: -57.426
flat angles P-C4'-P energy: -43.289
tors. eta vs tors. theta energy: -70.824
Dist. restrs. and SS energy: 12.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1252.251085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.251085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.102551 (E_RNA)
where:
Base-Base interactions energy: -854.046
where: short stacking energy: -381.136
Base-Backbone interact. energy: -1.641
local terms energy: -399.416347
where:
bonds (distance) C4'-P energy: -63.259
bonds (distance) P-C4' energy: -72.584
flat angles C4'-P-C4' energy: -84.141
flat angles P-C4'-P energy: -61.215
tors. eta vs tors. theta energy: -118.218
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: 2, replica: 9
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1223.710213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.710213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.646142 (E_RNA)
where:
Base-Base interactions energy: -859.708
where: short stacking energy: -367.642
Base-Backbone interact. energy: -3.239
local terms energy: -366.699135
where:
bonds (distance) C4'-P energy: -70.778
bonds (distance) P-C4' energy: -64.513
flat angles C4'-P-C4' energy: -72.624
flat angles P-C4'-P energy: -52.881
tors. eta vs tors. theta energy: -105.903
Dist. restrs. and SS energy: 5.936 (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: 6
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1175.254065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.254065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.790986 (E_RNA)
where:
Base-Base interactions energy: -828.295
where: short stacking energy: -328.194
Base-Backbone interact. energy: -3.724
local terms energy: -344.772359
where:
bonds (distance) C4'-P energy: -62.888
bonds (distance) P-C4' energy: -67.936
flat angles C4'-P-C4' energy: -71.697
flat angles P-C4'-P energy: -49.653
tors. eta vs tors. theta energy: -92.599
Dist. restrs. and SS energy: 1.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1128.911385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.911385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.368597 (E_RNA)
where:
Base-Base interactions energy: -771.191
where: short stacking energy: -307.914
Base-Backbone interact. energy: -2.629
local terms energy: -358.548134
where:
bonds (distance) C4'-P energy: -58.297
bonds (distance) P-C4' energy: -68.435
flat angles C4'-P-C4' energy: -75.978
flat angles P-C4'-P energy: -59.598
tors. eta vs tors. theta energy: -96.241
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: 7
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1041.770094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.770094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.873920 (E_RNA)
where:
Base-Base interactions energy: -728.732
where: short stacking energy: -288.503
Base-Backbone interact. energy: 2.168
local terms energy: -319.309720
where:
bonds (distance) C4'-P energy: -69.230
bonds (distance) P-C4' energy: -72.147
flat angles C4'-P-C4' energy: -72.394
flat angles P-C4'-P energy: -36.600
tors. eta vs tors. theta energy: -68.938
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: 6, replica: 10
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1048.847477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.847477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.786291 (E_RNA)
where:
Base-Base interactions energy: -732.713
where: short stacking energy: -285.853
Base-Backbone interact. energy: -2.139
local terms energy: -314.933892
where:
bonds (distance) C4'-P energy: -56.627
bonds (distance) P-C4' energy: -66.125
flat angles C4'-P-C4' energy: -69.727
flat angles P-C4'-P energy: -43.446
tors. eta vs tors. theta energy: -79.008
Dist. restrs. and SS energy: 0.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1004.857714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.857714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.066349 (E_RNA)
where:
Base-Base interactions energy: -693.885
where: short stacking energy: -283.622
Base-Backbone interact. energy: -2.945
local terms energy: -316.236034
where:
bonds (distance) C4'-P energy: -65.072
bonds (distance) P-C4' energy: -62.543
flat angles C4'-P-C4' energy: -72.966
flat angles P-C4'-P energy: -49.256
tors. eta vs tors. theta energy: -66.398
Dist. restrs. and SS energy: 8.209 (S_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: 251
Temperature: 1.250000
Total energy: -913.029332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.029332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.431438 (E_RNA)
where:
Base-Base interactions energy: -650.144
where: short stacking energy: -229.581
Base-Backbone interact. energy: -2.630
local terms energy: -264.657927
where:
bonds (distance) C4'-P energy: -60.602
bonds (distance) P-C4' energy: -58.349
flat angles C4'-P-C4' energy: -52.468
flat angles P-C4'-P energy: -38.110
tors. eta vs tors. theta energy: -55.128
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: 9, replica: 5
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -892.252048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.252048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.219779 (E_RNA)
where:
Base-Base interactions energy: -621.284
where: short stacking energy: -250.030
Base-Backbone interact. energy: -1.349
local terms energy: -271.587004
where:
bonds (distance) C4'-P energy: -61.821
bonds (distance) P-C4' energy: -48.432
flat angles C4'-P-C4' energy: -69.409
flat angles P-C4'-P energy: -40.887
tors. eta vs tors. theta energy: -51.039
Dist. restrs. and SS energy: 1.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -869.330271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.330271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.133490 (E_RNA)
where:
Base-Base interactions energy: -599.538
where: short stacking energy: -232.336
Base-Backbone interact. energy: -1.193
local terms energy: -281.402782
where:
bonds (distance) C4'-P energy: -47.054
bonds (distance) P-C4' energy: -64.666
flat angles C4'-P-C4' energy: -65.082
flat angles P-C4'-P energy: -38.038
tors. eta vs tors. theta energy: -66.564
Dist. restrs. and SS energy: 12.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1254.642181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.642181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.114250 (E_RNA)
where:
Base-Base interactions energy: -866.419
where: short stacking energy: -364.801
Base-Backbone interact. energy: -3.247
local terms energy: -387.448169
where:
bonds (distance) C4'-P energy: -74.490
bonds (distance) P-C4' energy: -69.164
flat angles C4'-P-C4' energy: -82.121
flat angles P-C4'-P energy: -53.732
tors. eta vs tors. theta energy: -107.942
Dist. restrs. and SS energy: 2.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1221.651127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.651127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.742793 (E_RNA)
where:
Base-Base interactions energy: -851.499
where: short stacking energy: -352.318
Base-Backbone interact. energy: -1.949
local terms energy: -372.295237
where:
bonds (distance) C4'-P energy: -71.027
bonds (distance) P-C4' energy: -72.342
flat angles C4'-P-C4' energy: -74.818
flat angles P-C4'-P energy: -50.148
tors. eta vs tors. theta energy: -103.960
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: 3, replica: 6
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1199.896160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.896160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.846359 (E_RNA)
where:
Base-Base interactions energy: -848.803
where: short stacking energy: -358.117
Base-Backbone interact. energy: -0.414
local terms energy: -353.629335
where:
bonds (distance) C4'-P energy: -65.870
bonds (distance) P-C4' energy: -63.489
flat angles C4'-P-C4' energy: -72.973
flat angles P-C4'-P energy: -48.968
tors. eta vs tors. theta energy: -102.329
Dist. restrs. and SS energy: 2.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1143.661991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.661991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.766355 (E_RNA)
where:
Base-Base interactions energy: -784.354
where: short stacking energy: -333.625
Base-Backbone interact. energy: -2.046
local terms energy: -360.366560
where:
bonds (distance) C4'-P energy: -81.344
bonds (distance) P-C4' energy: -68.464
flat angles C4'-P-C4' energy: -66.518
flat angles P-C4'-P energy: -46.757
tors. eta vs tors. theta energy: -97.283
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: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1080.143083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.143083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.268912 (E_RNA)
where:
Base-Base interactions energy: -736.923
where: short stacking energy: -319.506
Base-Backbone interact. energy: -0.159
local terms energy: -345.187237
where:
bonds (distance) C4'-P energy: -63.090
bonds (distance) P-C4' energy: -64.207
flat angles C4'-P-C4' energy: -75.881
flat angles P-C4'-P energy: -53.772
tors. eta vs tors. theta energy: -88.237
Dist. restrs. and SS energy: 2.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1041.086856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.086856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.166001 (E_RNA)
where:
Base-Base interactions energy: -716.390
where: short stacking energy: -290.102
Base-Backbone interact. energy: -0.434
local terms energy: -328.341569
where:
bonds (distance) C4'-P energy: -59.138
bonds (distance) P-C4' energy: -64.870
flat angles C4'-P-C4' energy: -70.614
flat angles P-C4'-P energy: -50.475
tors. eta vs tors. theta energy: -83.244
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: 7, replica: 4
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -982.525413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.525413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.124693 (E_RNA)
where:
Base-Base interactions energy: -686.152
where: short stacking energy: -269.680
Base-Backbone interact. energy: -0.600
local terms energy: -298.372046
where:
bonds (distance) C4'-P energy: -68.294
bonds (distance) P-C4' energy: -46.661
flat angles C4'-P-C4' energy: -74.872
flat angles P-C4'-P energy: -41.596
tors. eta vs tors. theta energy: -66.950
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: 8, replica: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -925.002012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.002012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.834588 (E_RNA)
where:
Base-Base interactions energy: -671.926
where: short stacking energy: -271.473
Base-Backbone interact. energy: -1.859
local terms energy: -263.049922
where:
bonds (distance) C4'-P energy: -55.713
bonds (distance) P-C4' energy: -48.955
flat angles C4'-P-C4' energy: -67.254
flat angles P-C4'-P energy: -27.045
tors. eta vs tors. theta energy: -64.084
Dist. restrs. and SS energy: 11.833 (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: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -908.529437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.529437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.435990 (E_RNA)
where:
Base-Base interactions energy: -645.428
where: short stacking energy: -244.220
Base-Backbone interact. energy: -0.029
local terms energy: -267.978959
where:
bonds (distance) C4'-P energy: -52.422
bonds (distance) P-C4' energy: -55.404
flat angles C4'-P-C4' energy: -59.028
flat angles P-C4'-P energy: -38.944
tors. eta vs tors. theta energy: -62.181
Dist. restrs. and SS energy: 4.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -871.725470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.725470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.600264 (E_RNA)
where:
Base-Base interactions energy: -613.026
where: short stacking energy: -252.952
Base-Backbone interact. energy: -1.493
local terms energy: -265.081352
where:
bonds (distance) C4'-P energy: -53.298
bonds (distance) P-C4' energy: -40.550
flat angles C4'-P-C4' energy: -69.233
flat angles P-C4'-P energy: -43.482
tors. eta vs tors. theta energy: -58.520
Dist. restrs. and SS energy: 7.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1240.213472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.213472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.914435 (E_RNA)
where:
Base-Base interactions energy: -868.130
where: short stacking energy: -359.446
Base-Backbone interact. energy: -2.175
local terms energy: -372.609502
where:
bonds (distance) C4'-P energy: -78.273
bonds (distance) P-C4' energy: -58.145
flat angles C4'-P-C4' energy: -75.485
flat angles P-C4'-P energy: -58.023
tors. eta vs tors. theta energy: -102.684
Dist. restrs. and SS energy: 2.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1211.820454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.820454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.081754 (E_RNA)
where:
Base-Base interactions energy: -855.451
where: short stacking energy: -359.321
Base-Backbone interact. energy: -2.033
local terms energy: -360.597586
where:
bonds (distance) C4'-P energy: -67.480
bonds (distance) P-C4' energy: -68.271
flat angles C4'-P-C4' energy: -73.353
flat angles P-C4'-P energy: -50.074
tors. eta vs tors. theta energy: -101.420
Dist. restrs. and SS energy: 6.261 (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: 6
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1159.328289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.328289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.748461 (E_RNA)
where:
Base-Base interactions energy: -814.438
where: short stacking energy: -360.334
Base-Backbone interact. energy: -0.353
local terms energy: -347.957408
where:
bonds (distance) C4'-P energy: -62.215
bonds (distance) P-C4' energy: -60.433
flat angles C4'-P-C4' energy: -73.455
flat angles P-C4'-P energy: -47.869
tors. eta vs tors. theta energy: -103.986
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: 4, replica: 8
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1120.150696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.150696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.879943 (E_RNA)
where:
Base-Base interactions energy: -793.716
where: short stacking energy: -326.907
Base-Backbone interact. energy: -1.510
local terms energy: -327.653504
where:
bonds (distance) C4'-P energy: -57.133
bonds (distance) P-C4' energy: -60.199
flat angles C4'-P-C4' energy: -73.239
flat angles P-C4'-P energy: -48.631
tors. eta vs tors. theta energy: -88.452
Dist. restrs. and SS energy: 2.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1071.698428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.698428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.829129 (E_RNA)
where:
Base-Base interactions energy: -729.832
where: short stacking energy: -323.545
Base-Backbone interact. energy: -1.943
local terms energy: -347.054801
where:
bonds (distance) C4'-P energy: -61.339
bonds (distance) P-C4' energy: -64.822
flat angles C4'-P-C4' energy: -74.771
flat angles P-C4'-P energy: -47.356
tors. eta vs tors. theta energy: -98.766
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: 6, replica: 7
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1000.579912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.579912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.626991 (E_RNA)
where:
Base-Base interactions energy: -686.462
where: short stacking energy: -293.812
Base-Backbone interact. energy: -2.543
local terms energy: -313.622316
where:
bonds (distance) C4'-P energy: -51.912
bonds (distance) P-C4' energy: -66.009
flat angles C4'-P-C4' energy: -73.333
flat angles P-C4'-P energy: -43.893
tors. eta vs tors. theta energy: -78.474
Dist. restrs. and SS energy: 2.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -973.773031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.773031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.780266 (E_RNA)
where:
Base-Base interactions energy: -669.161
where: short stacking energy: -265.981
Base-Backbone interact. energy: 1.488
local terms energy: -309.107720
where:
bonds (distance) C4'-P energy: -70.430
bonds (distance) P-C4' energy: -50.300
flat angles C4'-P-C4' energy: -65.002
flat angles P-C4'-P energy: -53.912
tors. eta vs tors. theta energy: -69.463
Dist. restrs. and SS energy: 3.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -938.160708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.160708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.364395 (E_RNA)
where:
Base-Base interactions energy: -663.630
where: short stacking energy: -275.751
Base-Backbone interact. energy: 2.412
local terms energy: -285.147233
where:
bonds (distance) C4'-P energy: -61.270
bonds (distance) P-C4' energy: -57.160
flat angles C4'-P-C4' energy: -56.489
flat angles P-C4'-P energy: -43.480
tors. eta vs tors. theta energy: -66.748
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: 9, replica: 5
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -927.923510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.923510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.747367 (E_RNA)
where:
Base-Base interactions energy: -652.701
where: short stacking energy: -253.703
Base-Backbone interact. energy: 1.767
local terms energy: -279.813319
where:
bonds (distance) C4'-P energy: -66.069
bonds (distance) P-C4' energy: -56.696
flat angles C4'-P-C4' energy: -51.564
flat angles P-C4'-P energy: -42.532
tors. eta vs tors. theta energy: -62.953
Dist. restrs. and SS energy: 2.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -870.447153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.447153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.874908 (E_RNA)
where:
Base-Base interactions energy: -602.153
where: short stacking energy: -250.750
Base-Backbone interact. energy: -0.002
local terms energy: -277.720220
where:
bonds (distance) C4'-P energy: -52.396
bonds (distance) P-C4' energy: -61.701
flat angles C4'-P-C4' energy: -61.981
flat angles P-C4'-P energy: -41.664
tors. eta vs tors. theta energy: -59.978
Dist. restrs. and SS energy: 9.428 (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: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1245.356190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.356190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.290120 (E_RNA)
where:
Base-Base interactions energy: -858.117
where: short stacking energy: -363.354
Base-Backbone interact. energy: -1.624
local terms energy: -388.548960
where:
bonds (distance) C4'-P energy: -72.124
bonds (distance) P-C4' energy: -72.833
flat angles C4'-P-C4' energy: -85.187
flat angles P-C4'-P energy: -54.398
tors. eta vs tors. theta energy: -104.007
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: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1198.291126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.291126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.855466 (E_RNA)
where:
Base-Base interactions energy: -844.194
where: short stacking energy: -330.946
Base-Backbone interact. energy: -1.420
local terms energy: -359.241978
where:
bonds (distance) C4'-P energy: -69.383
bonds (distance) P-C4' energy: -62.297
flat angles C4'-P-C4' energy: -80.910
flat angles P-C4'-P energy: -53.454
tors. eta vs tors. theta energy: -93.198
Dist. restrs. and SS energy: 6.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1132.548841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.548841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.424711 (E_RNA)
where:
Base-Base interactions energy: -786.814
where: short stacking energy: -322.365
Base-Backbone interact. energy: -1.499
local terms energy: -348.111386
where:
bonds (distance) C4'-P energy: -67.769
bonds (distance) P-C4' energy: -64.173
flat angles C4'-P-C4' energy: -78.500
flat angles P-C4'-P energy: -47.457
tors. eta vs tors. theta energy: -90.211
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: 6
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1148.325312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.325312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.447154 (E_RNA)
where:
Base-Base interactions energy: -827.534
where: short stacking energy: -348.283
Base-Backbone interact. energy: -1.789
local terms energy: -322.124291
where:
bonds (distance) C4'-P energy: -52.717
bonds (distance) P-C4' energy: -64.161
flat angles C4'-P-C4' energy: -66.980
flat angles P-C4'-P energy: -40.193
tors. eta vs tors. theta energy: -98.073
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: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1102.158235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.158235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.921961 (E_RNA)
where:
Base-Base interactions energy: -756.455
where: short stacking energy: -307.093
Base-Backbone interact. energy: -1.308
local terms energy: -348.158666
where:
bonds (distance) C4'-P energy: -71.691
bonds (distance) P-C4' energy: -70.980
flat angles C4'-P-C4' energy: -65.544
flat angles P-C4'-P energy: -47.752
tors. eta vs tors. theta energy: -92.192
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: 6, replica: 7
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1012.346815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.346815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.133178 (E_RNA)
where:
Base-Base interactions energy: -724.135
where: short stacking energy: -273.640
Base-Backbone interact. energy: 1.970
local terms energy: -291.967953
where:
bonds (distance) C4'-P energy: -45.738
bonds (distance) P-C4' energy: -52.552
flat angles C4'-P-C4' energy: -75.265
flat angles P-C4'-P energy: -48.311
tors. eta vs tors. theta energy: -70.101
Dist. restrs. and SS energy: 1.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -972.641458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.641458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.314047 (E_RNA)
where:
Base-Base interactions energy: -686.018
where: short stacking energy: -285.812
Base-Backbone interact. energy: 0.187
local terms energy: -297.482286
where:
bonds (distance) C4'-P energy: -57.359
bonds (distance) P-C4' energy: -64.994
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -41.721
tors. eta vs tors. theta energy: -68.796
Dist. restrs. and SS energy: 10.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -923.135653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.135653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.588753 (E_RNA)
where:
Base-Base interactions energy: -644.241
where: short stacking energy: -270.124
Base-Backbone interact. energy: -0.672
local terms energy: -289.675857
where:
bonds (distance) C4'-P energy: -49.392
bonds (distance) P-C4' energy: -62.499
flat angles C4'-P-C4' energy: -66.105
flat angles P-C4'-P energy: -47.500
tors. eta vs tors. theta energy: -64.180
Dist. restrs. and SS energy: 11.453 (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: 5
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -922.566313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.566313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.850492 (E_RNA)
where:
Base-Base interactions energy: -630.611
where: short stacking energy: -247.260
Base-Backbone interact. energy: -1.369
local terms energy: -297.870278
where:
bonds (distance) C4'-P energy: -67.728
bonds (distance) P-C4' energy: -73.050
flat angles C4'-P-C4' energy: -67.056
flat angles P-C4'-P energy: -27.319
tors. eta vs tors. theta energy: -62.717
Dist. restrs. and SS energy: 7.284 (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: 254
Temperature: 1.350000
Total energy: -857.467906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.467906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.807065 (E_RNA)
where:
Base-Base interactions energy: -602.497
where: short stacking energy: -234.626
Base-Backbone interact. energy: -2.822
local terms energy: -256.488185
where:
bonds (distance) C4'-P energy: -41.198
bonds (distance) P-C4' energy: -53.513
flat angles C4'-P-C4' energy: -67.065
flat angles P-C4'-P energy: -43.502
tors. eta vs tors. theta energy: -51.210
Dist. restrs. and SS energy: 4.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1242.203112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.203112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.840732 (E_RNA)
where:
Base-Base interactions energy: -870.909
where: short stacking energy: -366.634
Base-Backbone interact. energy: -0.014
local terms energy: -374.918087
where:
bonds (distance) C4'-P energy: -66.953
bonds (distance) P-C4' energy: -66.862
flat angles C4'-P-C4' energy: -77.053
flat angles P-C4'-P energy: -60.343
tors. eta vs tors. theta energy: -103.706
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: 2, replica: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1229.595404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.595404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.806469 (E_RNA)
where:
Base-Base interactions energy: -858.601
where: short stacking energy: -347.915
Base-Backbone interact. energy: -2.511
local terms energy: -375.694507
where:
bonds (distance) C4'-P energy: -76.095
bonds (distance) P-C4' energy: -70.856
flat angles C4'-P-C4' energy: -77.995
flat angles P-C4'-P energy: -48.272
tors. eta vs tors. theta energy: -102.477
Dist. restrs. and SS energy: 7.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1169.759422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.759422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.354009 (E_RNA)
where:
Base-Base interactions energy: -793.867
where: short stacking energy: -329.197
Base-Backbone interact. energy: -1.545
local terms energy: -377.942107
where:
bonds (distance) C4'-P energy: -74.185
bonds (distance) P-C4' energy: -65.637
flat angles C4'-P-C4' energy: -75.089
flat angles P-C4'-P energy: -63.572
tors. eta vs tors. theta energy: -99.459
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: 4, replica: 6
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1139.778185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.778185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.596340 (E_RNA)
where:
Base-Base interactions energy: -800.966
where: short stacking energy: -340.302
Base-Backbone interact. energy: 0.136
local terms energy: -341.765675
where:
bonds (distance) C4'-P energy: -64.195
bonds (distance) P-C4' energy: -69.894
flat angles C4'-P-C4' energy: -68.065
flat angles P-C4'-P energy: -40.218
tors. eta vs tors. theta energy: -99.394
Dist. restrs. and SS energy: 2.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1107.023654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.023654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.994980 (E_RNA)
where:
Base-Base interactions energy: -776.475
where: short stacking energy: -326.077
Base-Backbone interact. energy: -1.716
local terms energy: -329.804366
where:
bonds (distance) C4'-P energy: -60.242
bonds (distance) P-C4' energy: -66.313
flat angles C4'-P-C4' energy: -71.525
flat angles P-C4'-P energy: -44.460
tors. eta vs tors. theta energy: -87.265
Dist. restrs. and SS energy: 0.971 (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: 4
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -983.805808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.805808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.232508 (E_RNA)
where:
Base-Base interactions energy: -670.906
where: short stacking energy: -260.624
Base-Backbone interact. energy: -2.197
local terms energy: -313.128642
where:
bonds (distance) C4'-P energy: -71.942
bonds (distance) P-C4' energy: -69.170
flat angles C4'-P-C4' energy: -71.669
flat angles P-C4'-P energy: -34.506
tors. eta vs tors. theta energy: -65.841
Dist. restrs. and SS energy: 2.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1016.486651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.486651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.102552 (E_RNA)
where:
Base-Base interactions energy: -703.649
where: short stacking energy: -272.918
Base-Backbone interact. energy: 4.271
local terms energy: -317.724874
where:
bonds (distance) C4'-P energy: -53.624
bonds (distance) P-C4' energy: -63.675
flat angles C4'-P-C4' energy: -71.650
flat angles P-C4'-P energy: -61.852
tors. eta vs tors. theta energy: -66.923
Dist. restrs. and SS energy: 0.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -945.272205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.272205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.605177 (E_RNA)
where:
Base-Base interactions energy: -653.965
where: short stacking energy: -252.972
Base-Backbone interact. energy: -0.342
local terms energy: -296.298184
where:
bonds (distance) C4'-P energy: -57.480
bonds (distance) P-C4' energy: -65.418
flat angles C4'-P-C4' energy: -69.817
flat angles P-C4'-P energy: -39.403
tors. eta vs tors. theta energy: -64.181
Dist. restrs. and SS energy: 5.333 (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: 3
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -867.681529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.681529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.488332 (E_RNA)
where:
Base-Base interactions energy: -609.060
where: short stacking energy: -230.606
Base-Backbone interact. energy: -0.209
local terms energy: -265.219207
where:
bonds (distance) C4'-P energy: -61.894
bonds (distance) P-C4' energy: -56.611
flat angles C4'-P-C4' energy: -51.340
flat angles P-C4'-P energy: -38.970
tors. eta vs tors. theta energy: -56.404
Dist. restrs. and SS energy: 6.807 (S_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: 255
Temperature: 1.350000
Total energy: -876.695823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.695823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.670986 (E_RNA)
where:
Base-Base interactions energy: -625.401
where: short stacking energy: -242.744
Base-Backbone interact. energy: 0.362
local terms energy: -258.632070
where:
bonds (distance) C4'-P energy: -48.957
bonds (distance) P-C4' energy: -54.249
flat angles C4'-P-C4' energy: -59.576
flat angles P-C4'-P energy: -34.691
tors. eta vs tors. theta energy: -61.159
Dist. restrs. and SS energy: 6.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1246.318890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.318890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.870277 (E_RNA)
where:
Base-Base interactions energy: -879.425
where: short stacking energy: -369.257
Base-Backbone interact. energy: -0.829
local terms energy: -371.616511
where:
bonds (distance) C4'-P energy: -66.682
bonds (distance) P-C4' energy: -71.023
flat angles C4'-P-C4' energy: -71.629
flat angles P-C4'-P energy: -56.904
tors. eta vs tors. theta energy: -105.379
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: 2, replica: 2
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1228.551271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.551271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.266416 (E_RNA)
where:
Base-Base interactions energy: -855.915
where: short stacking energy: -364.147
Base-Backbone interact. energy: -1.054
local terms energy: -375.298250
where:
bonds (distance) C4'-P energy: -70.259
bonds (distance) P-C4' energy: -67.288
flat angles C4'-P-C4' energy: -79.598
flat angles P-C4'-P energy: -53.832
tors. eta vs tors. theta energy: -104.321
Dist. restrs. and SS energy: 3.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1128.805070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.805070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.256547 (E_RNA)
where:
Base-Base interactions energy: -804.831
where: short stacking energy: -337.509
Base-Backbone interact. energy: 2.312
local terms energy: -328.737698
where:
bonds (distance) C4'-P energy: -59.816
bonds (distance) P-C4' energy: -51.073
flat angles C4'-P-C4' energy: -77.651
flat angles P-C4'-P energy: -50.995
tors. eta vs tors. theta energy: -89.203
Dist. restrs. and SS energy: 2.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1126.095417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.095417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.151363 (E_RNA)
where:
Base-Base interactions energy: -778.638
where: short stacking energy: -327.257
Base-Backbone interact. energy: -1.681
local terms energy: -349.832255
where:
bonds (distance) C4'-P energy: -75.929
bonds (distance) P-C4' energy: -69.608
flat angles C4'-P-C4' energy: -73.590
flat angles P-C4'-P energy: -44.229
tors. eta vs tors. theta energy: -86.476
Dist. restrs. and SS energy: 4.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1092.408427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.408427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.991359 (E_RNA)
where:
Base-Base interactions energy: -762.847
where: short stacking energy: -316.547
Base-Backbone interact. energy: -0.426
local terms energy: -330.718810
where:
bonds (distance) C4'-P energy: -65.710
bonds (distance) P-C4' energy: -63.619
flat angles C4'-P-C4' energy: -68.161
flat angles P-C4'-P energy: -49.651
tors. eta vs tors. theta energy: -83.578
Dist. restrs. and SS energy: 1.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1016.109863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.109863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.886930 (E_RNA)
where:
Base-Base interactions energy: -707.427
where: short stacking energy: -276.778
Base-Backbone interact. energy: -2.638
local terms energy: -308.822042
where:
bonds (distance) C4'-P energy: -65.869
bonds (distance) P-C4' energy: -60.347
flat angles C4'-P-C4' energy: -62.369
flat angles P-C4'-P energy: -49.163
tors. eta vs tors. theta energy: -71.074
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: 7, replica: 7
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1005.388557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.388557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.827080 (E_RNA)
where:
Base-Base interactions energy: -713.157
where: short stacking energy: -281.344
Base-Backbone interact. energy: -4.113
local terms energy: -290.556577
where:
bonds (distance) C4'-P energy: -52.705
bonds (distance) P-C4' energy: -61.734
flat angles C4'-P-C4' energy: -59.959
flat angles P-C4'-P energy: -47.985
tors. eta vs tors. theta energy: -68.173
Dist. restrs. and SS energy: 2.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -938.466486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.466486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.992874 (E_RNA)
where:
Base-Base interactions energy: -639.760
where: short stacking energy: -255.423
Base-Backbone interact. energy: -0.450
local terms energy: -304.783076
where:
bonds (distance) C4'-P energy: -61.360
bonds (distance) P-C4' energy: -63.543
flat angles C4'-P-C4' energy: -70.449
flat angles P-C4'-P energy: -46.399
tors. eta vs tors. theta energy: -63.033
Dist. restrs. and SS energy: 6.526 (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: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -914.684575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.684575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.989207 (E_RNA)
where:
Base-Base interactions energy: -643.984
where: short stacking energy: -248.763
Base-Backbone interact. energy: -1.301
local terms energy: -276.704550
where:
bonds (distance) C4'-P energy: -52.231
bonds (distance) P-C4' energy: -60.281
flat angles C4'-P-C4' energy: -66.831
flat angles P-C4'-P energy: -33.438
tors. eta vs tors. theta energy: -63.923
Dist. restrs. and SS energy: 7.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -879.474923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.474923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.465980 (E_RNA)
where:
Base-Base interactions energy: -623.241
where: short stacking energy: -250.984
Base-Backbone interact. energy: -0.052
local terms energy: -264.172785
where:
bonds (distance) C4'-P energy: -40.511
bonds (distance) P-C4' energy: -55.736
flat angles C4'-P-C4' energy: -63.418
flat angles P-C4'-P energy: -40.075
tors. eta vs tors. theta energy: -64.432
Dist. restrs. and SS energy: 7.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1234.471551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.471551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.864718 (E_RNA)
where:
Base-Base interactions energy: -859.339
where: short stacking energy: -355.579
Base-Backbone interact. energy: -0.795
local terms energy: -381.730741
where:
bonds (distance) C4'-P energy: -64.374
bonds (distance) P-C4' energy: -77.044
flat angles C4'-P-C4' energy: -82.144
flat angles P-C4'-P energy: -53.185
tors. eta vs tors. theta energy: -104.984
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: 2, replica: 2
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1223.619745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.619745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.317504 (E_RNA)
where:
Base-Base interactions energy: -846.314
where: short stacking energy: -364.210
Base-Backbone interact. energy: 2.382
local terms energy: -383.385330
where:
bonds (distance) C4'-P energy: -68.858
bonds (distance) P-C4' energy: -69.538
flat angles C4'-P-C4' energy: -76.780
flat angles P-C4'-P energy: -59.808
tors. eta vs tors. theta energy: -108.402
Dist. restrs. and SS energy: 3.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1146.815847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.815847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.636814 (E_RNA)
where:
Base-Base interactions energy: -817.204
where: short stacking energy: -349.526
Base-Backbone interact. energy: -0.271
local terms energy: -333.161298
where:
bonds (distance) C4'-P energy: -66.204
bonds (distance) P-C4' energy: -42.689
flat angles C4'-P-C4' energy: -74.528
flat angles P-C4'-P energy: -50.041
tors. eta vs tors. theta energy: -99.699
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: 4, replica: 10
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1136.471054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.471054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.799936 (E_RNA)
where:
Base-Base interactions energy: -786.133
where: short stacking energy: -329.595
Base-Backbone interact. energy: 1.132
local terms energy: -352.799223
where:
bonds (distance) C4'-P energy: -60.740
bonds (distance) P-C4' energy: -75.579
flat angles C4'-P-C4' energy: -70.958
flat angles P-C4'-P energy: -49.555
tors. eta vs tors. theta energy: -95.967
Dist. restrs. and SS energy: 1.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1091.266089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.266089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.579127 (E_RNA)
where:
Base-Base interactions energy: -755.049
where: short stacking energy: -327.564
Base-Backbone interact. energy: -1.285
local terms energy: -338.245650
where:
bonds (distance) C4'-P energy: -65.061
bonds (distance) P-C4' energy: -61.714
flat angles C4'-P-C4' energy: -69.764
flat angles P-C4'-P energy: -48.744
tors. eta vs tors. theta energy: -92.962
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: 6, replica: 4
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1012.528191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.528191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.162804 (E_RNA)
where:
Base-Base interactions energy: -695.908
where: short stacking energy: -291.888
Base-Backbone interact. energy: -0.916
local terms energy: -326.338993
where:
bonds (distance) C4'-P energy: -66.755
bonds (distance) P-C4' energy: -63.334
flat angles C4'-P-C4' energy: -66.896
flat angles P-C4'-P energy: -43.114
tors. eta vs tors. theta energy: -86.240
Dist. restrs. and SS energy: 10.635 (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: 7
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -975.985883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.985883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.915633 (E_RNA)
where:
Base-Base interactions energy: -689.607
where: short stacking energy: -258.816
Base-Backbone interact. energy: 0.925
local terms energy: -288.233577
where:
bonds (distance) C4'-P energy: -61.806
bonds (distance) P-C4' energy: -49.811
flat angles C4'-P-C4' energy: -71.109
flat angles P-C4'-P energy: -44.676
tors. eta vs tors. theta energy: -60.832
Dist. restrs. and SS energy: 0.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -943.802323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.802323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.758361 (E_RNA)
where:
Base-Base interactions energy: -657.904
where: short stacking energy: -282.656
Base-Backbone interact. energy: -2.536
local terms energy: -286.318493
where:
bonds (distance) C4'-P energy: -50.509
bonds (distance) P-C4' energy: -63.826
flat angles C4'-P-C4' energy: -62.830
flat angles P-C4'-P energy: -37.662
tors. eta vs tors. theta energy: -71.491
Dist. restrs. and SS energy: 2.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -918.504413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.504413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.000973 (E_RNA)
where:
Base-Base interactions energy: -637.565
where: short stacking energy: -239.913
Base-Backbone interact. energy: -1.551
local terms energy: -282.884763
where:
bonds (distance) C4'-P energy: -60.029
bonds (distance) P-C4' energy: -57.885
flat angles C4'-P-C4' energy: -75.474
flat angles P-C4'-P energy: -31.022
tors. eta vs tors. theta energy: -58.475
Dist. restrs. and SS energy: 3.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -870.027330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.027330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.777631 (E_RNA)
where:
Base-Base interactions energy: -625.643
where: short stacking energy: -241.951
Base-Backbone interact. energy: -1.161
local terms energy: -253.973384
where:
bonds (distance) C4'-P energy: -60.356
bonds (distance) P-C4' energy: -45.524
flat angles C4'-P-C4' energy: -60.757
flat angles P-C4'-P energy: -38.556
tors. eta vs tors. theta energy: -48.780
Dist. restrs. and SS energy: 10.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1245.675212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.675212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.003326 (E_RNA)
where:
Base-Base interactions energy: -855.520
where: short stacking energy: -348.540
Base-Backbone interact. energy: -4.371
local terms energy: -393.112668
where:
bonds (distance) C4'-P energy: -74.895
bonds (distance) P-C4' energy: -71.396
flat angles C4'-P-C4' energy: -80.759
flat angles P-C4'-P energy: -59.230
tors. eta vs tors. theta energy: -106.832
Dist. restrs. and SS energy: 7.328 (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: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1206.064298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.064298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.872122 (E_RNA)
where:
Base-Base interactions energy: -830.463
where: short stacking energy: -360.164
Base-Backbone interact. energy: -2.574
local terms energy: -376.834678
where:
bonds (distance) C4'-P energy: -61.359
bonds (distance) P-C4' energy: -66.659
flat angles C4'-P-C4' energy: -79.734
flat angles P-C4'-P energy: -59.504
tors. eta vs tors. theta energy: -109.579
Dist. restrs. and SS energy: 3.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1152.234032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.234032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.691817 (E_RNA)
where:
Base-Base interactions energy: -790.851
where: short stacking energy: -320.599
Base-Backbone interact. energy: -0.258
local terms energy: -363.582266
where:
bonds (distance) C4'-P energy: -63.665
bonds (distance) P-C4' energy: -73.546
flat angles C4'-P-C4' energy: -78.839
flat angles P-C4'-P energy: -49.518
tors. eta vs tors. theta energy: -98.014
Dist. restrs. and SS energy: 2.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1120.359216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.359216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.904535 (E_RNA)
where:
Base-Base interactions energy: -775.523
where: short stacking energy: -319.427
Base-Backbone interact. energy: -2.498
local terms energy: -346.884176
where:
bonds (distance) C4'-P energy: -53.815
bonds (distance) P-C4' energy: -65.368
flat angles C4'-P-C4' energy: -77.568
flat angles P-C4'-P energy: -55.506
tors. eta vs tors. theta energy: -94.628
Dist. restrs. and SS energy: 4.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1119.106924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.106924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.067250 (E_RNA)
where:
Base-Base interactions energy: -763.907
where: short stacking energy: -310.589
Base-Backbone interact. energy: -1.933
local terms energy: -356.227510
where:
bonds (distance) C4'-P energy: -57.552
bonds (distance) P-C4' energy: -69.849
flat angles C4'-P-C4' energy: -79.116
flat angles P-C4'-P energy: -55.272
tors. eta vs tors. theta energy: -94.439
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: 6, replica: 4
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1015.172936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.172936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.683160 (E_RNA)
where:
Base-Base interactions energy: -693.307
where: short stacking energy: -296.774
Base-Backbone interact. energy: -1.718
local terms energy: -328.658950
where:
bonds (distance) C4'-P energy: -57.109
bonds (distance) P-C4' energy: -70.125
flat angles C4'-P-C4' energy: -77.017
flat angles P-C4'-P energy: -41.412
tors. eta vs tors. theta energy: -82.997
Dist. restrs. and SS energy: 8.510 (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: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1005.695554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.695554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.187750 (E_RNA)
where:
Base-Base interactions energy: -691.395
where: short stacking energy: -284.025
Base-Backbone interact. energy: -1.205
local terms energy: -316.587865
where:
bonds (distance) C4'-P energy: -60.562
bonds (distance) P-C4' energy: -69.545
flat angles C4'-P-C4' energy: -63.600
flat angles P-C4'-P energy: -45.240
tors. eta vs tors. theta energy: -77.641
Dist. restrs. and SS energy: 3.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -969.293676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.293676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.802673 (E_RNA)
where:
Base-Base interactions energy: -681.881
where: short stacking energy: -267.702
Base-Backbone interact. energy: -0.991
local terms energy: -287.930133
where:
bonds (distance) C4'-P energy: -58.148
bonds (distance) P-C4' energy: -63.458
flat angles C4'-P-C4' energy: -57.524
flat angles P-C4'-P energy: -42.862
tors. eta vs tors. theta energy: -65.938
Dist. restrs. and SS energy: 1.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -875.023401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.023401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.202478 (E_RNA)
where:
Base-Base interactions energy: -606.642
where: short stacking energy: -244.786
Base-Backbone interact. energy: 0.023
local terms energy: -275.583328
where:
bonds (distance) C4'-P energy: -65.867
bonds (distance) P-C4' energy: -69.333
flat angles C4'-P-C4' energy: -46.512
flat angles P-C4'-P energy: -33.859
tors. eta vs tors. theta energy: -60.013
Dist. restrs. and SS energy: 7.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -905.807844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.807844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.574822 (E_RNA)
where:
Base-Base interactions energy: -633.144
where: short stacking energy: -260.021
Base-Backbone interact. energy: -2.266
local terms energy: -275.165193
where:
bonds (distance) C4'-P energy: -49.714
bonds (distance) P-C4' energy: -50.529
flat angles C4'-P-C4' energy: -67.361
flat angles P-C4'-P energy: -44.426
tors. eta vs tors. theta energy: -63.135
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: 1, replica: 9
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1243.193428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.193428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.070296 (E_RNA)
where:
Base-Base interactions energy: -874.382
where: short stacking energy: -356.301
Base-Backbone interact. energy: -1.551
local terms energy: -372.137670
where:
bonds (distance) C4'-P energy: -60.468
bonds (distance) P-C4' energy: -73.325
flat angles C4'-P-C4' energy: -79.450
flat angles P-C4'-P energy: -55.153
tors. eta vs tors. theta energy: -103.742
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: 2, replica: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1219.749445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.749445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.386592 (E_RNA)
where:
Base-Base interactions energy: -854.101
where: short stacking energy: -373.222
Base-Backbone interact. energy: 0.200
local terms energy: -369.485866
where:
bonds (distance) C4'-P energy: -59.065
bonds (distance) P-C4' energy: -64.688
flat angles C4'-P-C4' energy: -82.641
flat angles P-C4'-P energy: -53.460
tors. eta vs tors. theta energy: -109.632
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: 3, replica: 8
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1143.155047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.155047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.500651 (E_RNA)
where:
Base-Base interactions energy: -790.247
where: short stacking energy: -343.120
Base-Backbone interact. energy: -2.035
local terms energy: -354.217794
where:
bonds (distance) C4'-P energy: -68.786
bonds (distance) P-C4' energy: -66.704
flat angles C4'-P-C4' energy: -73.476
flat angles P-C4'-P energy: -51.245
tors. eta vs tors. theta energy: -94.007
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: 4, replica: 6
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1124.904840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.904840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.282080 (E_RNA)
where:
Base-Base interactions energy: -787.134
where: short stacking energy: -326.418
Base-Backbone interact. energy: -2.491
local terms energy: -339.657578
where:
bonds (distance) C4'-P energy: -61.586
bonds (distance) P-C4' energy: -67.561
flat angles C4'-P-C4' energy: -70.029
flat angles P-C4'-P energy: -49.330
tors. eta vs tors. theta energy: -91.151
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: 5, replica: 10
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1097.717466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.717466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.999633 (E_RNA)
where:
Base-Base interactions energy: -749.033
where: short stacking energy: -319.229
Base-Backbone interact. energy: -1.564
local terms energy: -352.403409
where:
bonds (distance) C4'-P energy: -62.813
bonds (distance) P-C4' energy: -73.120
flat angles C4'-P-C4' energy: -76.442
flat angles P-C4'-P energy: -43.323
tors. eta vs tors. theta energy: -96.705
Dist. restrs. and SS energy: 5.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1011.338782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.338782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.865569 (E_RNA)
where:
Base-Base interactions energy: -709.429
where: short stacking energy: -299.795
Base-Backbone interact. energy: 2.807
local terms energy: -311.243641
where:
bonds (distance) C4'-P energy: -53.523
bonds (distance) P-C4' energy: -62.617
flat angles C4'-P-C4' energy: -74.180
flat angles P-C4'-P energy: -44.270
tors. eta vs tors. theta energy: -76.653
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: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -988.975672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.975672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.298671 (E_RNA)
where:
Base-Base interactions energy: -667.936
where: short stacking energy: -273.856
Base-Backbone interact. energy: -1.645
local terms energy: -324.718284
where:
bonds (distance) C4'-P energy: -61.219
bonds (distance) P-C4' energy: -64.255
flat angles C4'-P-C4' energy: -70.710
flat angles P-C4'-P energy: -50.279
tors. eta vs tors. theta energy: -78.257
Dist. restrs. and SS energy: 5.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -966.271083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.271083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.260059 (E_RNA)
where:
Base-Base interactions energy: -686.538
where: short stacking energy: -272.164
Base-Backbone interact. energy: -2.698
local terms energy: -279.023374
where:
bonds (distance) C4'-P energy: -60.406
bonds (distance) P-C4' energy: -50.152
flat angles C4'-P-C4' energy: -51.008
flat angles P-C4'-P energy: -41.755
tors. eta vs tors. theta energy: -75.703
Dist. restrs. and SS energy: 1.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -851.158875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.158875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.972696 (E_RNA)
where:
Base-Base interactions energy: -606.774
where: short stacking energy: -245.317
Base-Backbone interact. energy: -0.240
local terms energy: -251.958468
where:
bonds (distance) C4'-P energy: -40.399
bonds (distance) P-C4' energy: -62.104
flat angles C4'-P-C4' energy: -54.363
flat angles P-C4'-P energy: -42.007
tors. eta vs tors. theta energy: -53.086
Dist. restrs. and SS energy: 7.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -916.350177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.350177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.931526 (E_RNA)
where:
Base-Base interactions energy: -646.809
where: short stacking energy: -263.497
Base-Backbone interact. energy: -0.991
local terms energy: -272.131445
where:
bonds (distance) C4'-P energy: -36.837
bonds (distance) P-C4' energy: -55.162
flat angles C4'-P-C4' energy: -60.129
flat angles P-C4'-P energy: -41.965
tors. eta vs tors. theta energy: -78.039
Dist. restrs. and SS energy: 3.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1249.731861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.731861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.343881 (E_RNA)
where:
Base-Base interactions energy: -877.094
where: short stacking energy: -358.409
Base-Backbone interact. energy: -0.026
local terms energy: -380.223714
where:
bonds (distance) C4'-P energy: -65.952
bonds (distance) P-C4' energy: -70.285
flat angles C4'-P-C4' energy: -80.403
flat angles P-C4'-P energy: -59.234
tors. eta vs tors. theta energy: -104.350
Dist. restrs. and SS energy: 7.612 (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: 260
Temperature: 0.950000
Total energy: -1251.251473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.251473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.797752 (E_RNA)
where:
Base-Base interactions energy: -860.313
where: short stacking energy: -374.104
Base-Backbone interact. energy: -0.506
local terms energy: -393.978797
where:
bonds (distance) C4'-P energy: -65.078
bonds (distance) P-C4' energy: -77.506
flat angles C4'-P-C4' energy: -82.642
flat angles P-C4'-P energy: -59.891
tors. eta vs tors. theta energy: -108.861
Dist. restrs. and SS energy: 3.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1164.136948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.136948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.334191 (E_RNA)
where:
Base-Base interactions energy: -798.049
where: short stacking energy: -325.166
Base-Backbone interact. energy: -3.412
local terms energy: -365.872758
where:
bonds (distance) C4'-P energy: -68.357
bonds (distance) P-C4' energy: -68.987
flat angles C4'-P-C4' energy: -72.059
flat angles P-C4'-P energy: -56.721
tors. eta vs tors. theta energy: -99.749
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: 260
Temperature: 1.050000
Total energy: -1099.594124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.594124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.531016 (E_RNA)
where:
Base-Base interactions energy: -770.923
where: short stacking energy: -323.566
Base-Backbone interact. energy: -3.274
local terms energy: -328.334178
where:
bonds (distance) C4'-P energy: -59.700
bonds (distance) P-C4' energy: -75.982
flat angles C4'-P-C4' energy: -68.642
flat angles P-C4'-P energy: -41.980
tors. eta vs tors. theta energy: -82.031
Dist. restrs. and SS energy: 2.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1037.051799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.051799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.998107 (E_RNA)
where:
Base-Base interactions energy: -716.794
where: short stacking energy: -289.387
Base-Backbone interact. energy: 1.558
local terms energy: -325.761608
where:
bonds (distance) C4'-P energy: -68.572
bonds (distance) P-C4' energy: -63.525
flat angles C4'-P-C4' energy: -70.890
flat angles P-C4'-P energy: -46.363
tors. eta vs tors. theta energy: -76.412
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: 6, replica: 10
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1072.620126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.620126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.787229 (E_RNA)
where:
Base-Base interactions energy: -735.222
where: short stacking energy: -285.110
Base-Backbone interact. energy: -1.322
local terms energy: -337.243606
where:
bonds (distance) C4'-P energy: -70.046
bonds (distance) P-C4' energy: -68.117
flat angles C4'-P-C4' energy: -66.925
flat angles P-C4'-P energy: -46.396
tors. eta vs tors. theta energy: -85.760
Dist. restrs. and SS energy: 1.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -962.029204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.029204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.891299 (E_RNA)
where:
Base-Base interactions energy: -666.269
where: short stacking energy: -267.971
Base-Backbone interact. energy: -0.657
local terms energy: -300.965576
where:
bonds (distance) C4'-P energy: -59.880
bonds (distance) P-C4' energy: -62.341
flat angles C4'-P-C4' energy: -63.512
flat angles P-C4'-P energy: -45.467
tors. eta vs tors. theta energy: -69.766
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: 7
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -928.911585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.911585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.442831 (E_RNA)
where:
Base-Base interactions energy: -651.249
where: short stacking energy: -257.185
Base-Backbone interact. energy: -0.927
local terms energy: -277.267124
where:
bonds (distance) C4'-P energy: -59.140
bonds (distance) P-C4' energy: -61.023
flat angles C4'-P-C4' energy: -55.754
flat angles P-C4'-P energy: -32.651
tors. eta vs tors. theta energy: -68.700
Dist. restrs. and SS energy: 0.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -860.539011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.539011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.216118 (E_RNA)
where:
Base-Base interactions energy: -596.509
where: short stacking energy: -248.720
Base-Backbone interact. energy: -1.445
local terms energy: -273.262172
where:
bonds (distance) C4'-P energy: -60.017
bonds (distance) P-C4' energy: -60.326
flat angles C4'-P-C4' energy: -57.545
flat angles P-C4'-P energy: -46.374
tors. eta vs tors. theta energy: -49.000
Dist. restrs. and SS energy: 10.677 (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: 5
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -871.655090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.655090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.757828 (E_RNA)
where:
Base-Base interactions energy: -600.337
where: short stacking energy: -230.422
Base-Backbone interact. energy: -0.771
local terms energy: -277.649640
where:
bonds (distance) C4'-P energy: -49.486
bonds (distance) P-C4' energy: -62.792
flat angles C4'-P-C4' energy: -64.721
flat angles P-C4'-P energy: -39.515
tors. eta vs tors. theta energy: -61.136
Dist. restrs. and SS energy: 7.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1256.322017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.322017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.878775 (E_RNA)
where:
Base-Base interactions energy: -890.356
where: short stacking energy: -356.000
Base-Backbone interact. energy: 5.413
local terms energy: -377.935948
where:
bonds (distance) C4'-P energy: -74.260
bonds (distance) P-C4' energy: -72.493
flat angles C4'-P-C4' energy: -78.554
flat angles P-C4'-P energy: -54.294
tors. eta vs tors. theta energy: -98.334
Dist. restrs. and SS energy: 6.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1204.380364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.380364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.047301 (E_RNA)
where:
Base-Base interactions energy: -841.319
where: short stacking energy: -362.388
Base-Backbone interact. energy: -0.933
local terms energy: -365.795235
where:
bonds (distance) C4'-P energy: -63.085
bonds (distance) P-C4' energy: -61.223
flat angles C4'-P-C4' energy: -73.132
flat angles P-C4'-P energy: -60.524
tors. eta vs tors. theta energy: -107.831
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: 3, replica: 6
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1139.772595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.772595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.811372 (E_RNA)
where:
Base-Base interactions energy: -777.113
where: short stacking energy: -337.035
Base-Backbone interact. energy: -0.566
local terms energy: -368.132062
where:
bonds (distance) C4'-P energy: -69.962
bonds (distance) P-C4' energy: -71.791
flat angles C4'-P-C4' energy: -79.308
flat angles P-C4'-P energy: -58.971
tors. eta vs tors. theta energy: -88.100
Dist. restrs. and SS energy: 6.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1120.139099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.139099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.948457 (E_RNA)
where:
Base-Base interactions energy: -790.796
where: short stacking energy: -302.997
Base-Backbone interact. energy: -4.890
local terms energy: -328.262437
where:
bonds (distance) C4'-P energy: -60.566
bonds (distance) P-C4' energy: -59.881
flat angles C4'-P-C4' energy: -77.297
flat angles P-C4'-P energy: -53.684
tors. eta vs tors. theta energy: -76.834
Dist. restrs. and SS energy: 3.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1036.091330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.091330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.546752 (E_RNA)
where:
Base-Base interactions energy: -713.633
where: short stacking energy: -283.783
Base-Backbone interact. energy: 1.664
local terms energy: -329.576934
where:
bonds (distance) C4'-P energy: -60.331
bonds (distance) P-C4' energy: -66.251
flat angles C4'-P-C4' energy: -75.985
flat angles P-C4'-P energy: -50.489
tors. eta vs tors. theta energy: -76.521
Dist. restrs. and SS energy: 5.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1043.903060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.903060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.353311 (E_RNA)
where:
Base-Base interactions energy: -725.943
where: short stacking energy: -297.051
Base-Backbone interact. energy: -0.957
local terms energy: -321.453329
where:
bonds (distance) C4'-P energy: -66.930
bonds (distance) P-C4' energy: -61.346
flat angles C4'-P-C4' energy: -69.557
flat angles P-C4'-P energy: -45.748
tors. eta vs tors. theta energy: -77.872
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: 7, replica: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -983.301682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.301682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.135939 (E_RNA)
where:
Base-Base interactions energy: -693.651
where: short stacking energy: -263.769
Base-Backbone interact. energy: 0.146
local terms energy: -295.630817
where:
bonds (distance) C4'-P energy: -54.137
bonds (distance) P-C4' energy: -63.616
flat angles C4'-P-C4' energy: -70.271
flat angles P-C4'-P energy: -41.352
tors. eta vs tors. theta energy: -66.255
Dist. restrs. and SS energy: 5.834 (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: 7
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -936.333815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.333815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.865058 (E_RNA)
where:
Base-Base interactions energy: -651.111
where: short stacking energy: -241.778
Base-Backbone interact. energy: 1.381
local terms energy: -290.135627
where:
bonds (distance) C4'-P energy: -61.017
bonds (distance) P-C4' energy: -75.314
flat angles C4'-P-C4' energy: -65.869
flat angles P-C4'-P energy: -34.091
tors. eta vs tors. theta energy: -53.843
Dist. restrs. and SS energy: 3.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -891.023454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.023454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.572308 (E_RNA)
where:
Base-Base interactions energy: -635.240
where: short stacking energy: -237.258
Base-Backbone interact. energy: -0.690
local terms energy: -260.642978
where:
bonds (distance) C4'-P energy: -42.513
bonds (distance) P-C4' energy: -62.209
flat angles C4'-P-C4' energy: -57.427
flat angles P-C4'-P energy: -39.941
tors. eta vs tors. theta energy: -58.552
Dist. restrs. and SS energy: 5.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -900.469826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.469826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.439982 (E_RNA)
where:
Base-Base interactions energy: -636.141
where: short stacking energy: -256.096
Base-Backbone interact. energy: 1.471
local terms energy: -272.770100
where:
bonds (distance) C4'-P energy: -57.562
bonds (distance) P-C4' energy: -45.709
flat angles C4'-P-C4' energy: -58.595
flat angles P-C4'-P energy: -47.742
tors. eta vs tors. theta energy: -63.163
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: 1, replica: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1241.198890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.198890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.911203 (E_RNA)
where:
Base-Base interactions energy: -877.440
where: short stacking energy: -350.595
Base-Backbone interact. energy: 3.958
local terms energy: -373.429741
where:
bonds (distance) C4'-P energy: -75.212
bonds (distance) P-C4' energy: -63.761
flat angles C4'-P-C4' energy: -73.398
flat angles P-C4'-P energy: -57.106
tors. eta vs tors. theta energy: -103.954
Dist. restrs. and SS energy: 5.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1200.668037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.668037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.845989 (E_RNA)
where:
Base-Base interactions energy: -834.790
where: short stacking energy: -355.157
Base-Backbone interact. energy: 1.252
local terms energy: -370.308458
where:
bonds (distance) C4'-P energy: -63.941
bonds (distance) P-C4' energy: -68.668
flat angles C4'-P-C4' energy: -83.497
flat angles P-C4'-P energy: -48.206
tors. eta vs tors. theta energy: -105.996
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: 8
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1154.523768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.523768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.639273 (E_RNA)
where:
Base-Base interactions energy: -804.600
where: short stacking energy: -325.077
Base-Backbone interact. energy: -2.755
local terms energy: -350.283795
where:
bonds (distance) C4'-P energy: -57.034
bonds (distance) P-C4' energy: -70.055
flat angles C4'-P-C4' energy: -77.749
flat angles P-C4'-P energy: -57.725
tors. eta vs tors. theta energy: -87.720
Dist. restrs. and SS energy: 3.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1117.945606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.945606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.871708 (E_RNA)
where:
Base-Base interactions energy: -764.740
where: short stacking energy: -344.278
Base-Backbone interact. energy: -1.624
local terms energy: -358.507296
where:
bonds (distance) C4'-P energy: -69.037
bonds (distance) P-C4' energy: -67.288
flat angles C4'-P-C4' energy: -72.993
flat angles P-C4'-P energy: -47.012
tors. eta vs tors. theta energy: -102.178
Dist. restrs. and SS energy: 6.926 (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: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1053.872656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.872656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.706625 (E_RNA)
where:
Base-Base interactions energy: -765.216
where: short stacking energy: -306.346
Base-Backbone interact. energy: -2.731
local terms energy: -293.759479
where:
bonds (distance) C4'-P energy: -46.090
bonds (distance) P-C4' energy: -57.640
flat angles C4'-P-C4' energy: -73.971
flat angles P-C4'-P energy: -49.508
tors. eta vs tors. theta energy: -66.552
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: 6, replica: 10
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1054.784282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.784282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.000140 (E_RNA)
where:
Base-Base interactions energy: -739.091
where: short stacking energy: -293.004
Base-Backbone interact. energy: 1.359
local terms energy: -318.268790
where:
bonds (distance) C4'-P energy: -53.935
bonds (distance) P-C4' energy: -56.469
flat angles C4'-P-C4' energy: -82.235
flat angles P-C4'-P energy: -49.554
tors. eta vs tors. theta energy: -76.076
Dist. restrs. and SS energy: 1.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -985.594900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.594900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.705210 (E_RNA)
where:
Base-Base interactions energy: -693.123
where: short stacking energy: -270.695
Base-Backbone interact. energy: -1.287
local terms energy: -293.295731
where:
bonds (distance) C4'-P energy: -56.539
bonds (distance) P-C4' energy: -54.019
flat angles C4'-P-C4' energy: -67.424
flat angles P-C4'-P energy: -41.726
tors. eta vs tors. theta energy: -73.588
Dist. restrs. and SS energy: 2.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -907.832761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.832761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.637118 (E_RNA)
where:
Base-Base interactions energy: -648.216
where: short stacking energy: -258.000
Base-Backbone interact. energy: 4.853
local terms energy: -269.274632
where:
bonds (distance) C4'-P energy: -62.688
bonds (distance) P-C4' energy: -57.573
flat angles C4'-P-C4' energy: -57.295
flat angles P-C4'-P energy: -41.283
tors. eta vs tors. theta energy: -50.436
Dist. restrs. and SS energy: 4.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -900.024902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.024902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.932714 (E_RNA)
where:
Base-Base interactions energy: -638.837
where: short stacking energy: -246.980
Base-Backbone interact. energy: -0.623
local terms energy: -267.472293
where:
bonds (distance) C4'-P energy: -56.133
bonds (distance) P-C4' energy: -51.144
flat angles C4'-P-C4' energy: -55.954
flat angles P-C4'-P energy: -43.704
tors. eta vs tors. theta energy: -60.537
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: 10, replica: 3
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -860.906023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.906023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.542172 (E_RNA)
where:
Base-Base interactions energy: -615.866
where: short stacking energy: -227.330
Base-Backbone interact. energy: -2.367
local terms energy: -243.309726
where:
bonds (distance) C4'-P energy: -41.273
bonds (distance) P-C4' energy: -43.222
flat angles C4'-P-C4' energy: -62.518
flat angles P-C4'-P energy: -45.638
tors. eta vs tors. theta energy: -50.658
Dist. restrs. and SS energy: 0.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1253.385688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.385688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.898555 (E_RNA)
where:
Base-Base interactions energy: -876.302
where: short stacking energy: -370.187
Base-Backbone interact. energy: 0.448
local terms energy: -384.044738
where:
bonds (distance) C4'-P energy: -73.141
bonds (distance) P-C4' energy: -78.110
flat angles C4'-P-C4' energy: -77.763
flat angles P-C4'-P energy: -51.632
tors. eta vs tors. theta energy: -103.398
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: 2, replica: 2
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1204.189249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.189249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.637957 (E_RNA)
where:
Base-Base interactions energy: -843.899
where: short stacking energy: -348.681
Base-Backbone interact. energy: -0.442
local terms energy: -362.297665
where:
bonds (distance) C4'-P energy: -58.586
bonds (distance) P-C4' energy: -75.582
flat angles C4'-P-C4' energy: -80.870
flat angles P-C4'-P energy: -54.210
tors. eta vs tors. theta energy: -93.050
Dist. restrs. and SS energy: 2.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1156.021337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.021337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.208185 (E_RNA)
where:
Base-Base interactions energy: -797.610
where: short stacking energy: -325.141
Base-Backbone interact. energy: -2.714
local terms energy: -359.884387
where:
bonds (distance) C4'-P energy: -70.256
bonds (distance) P-C4' energy: -70.010
flat angles C4'-P-C4' energy: -77.133
flat angles P-C4'-P energy: -50.980
tors. eta vs tors. theta energy: -91.505
Dist. restrs. and SS energy: 4.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1107.968331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.968331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.769722 (E_RNA)
where:
Base-Base interactions energy: -785.129
where: short stacking energy: -320.271
Base-Backbone interact. energy: 1.009
local terms energy: -327.650109
where:
bonds (distance) C4'-P energy: -52.803
bonds (distance) P-C4' energy: -67.672
flat angles C4'-P-C4' energy: -72.440
flat angles P-C4'-P energy: -48.583
tors. eta vs tors. theta energy: -86.151
Dist. restrs. and SS energy: 3.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1071.907459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.907459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.769178 (E_RNA)
where:
Base-Base interactions energy: -763.171
where: short stacking energy: -317.492
Base-Backbone interact. energy: -0.747
local terms energy: -314.851879
where:
bonds (distance) C4'-P energy: -48.453
bonds (distance) P-C4' energy: -61.385
flat angles C4'-P-C4' energy: -70.115
flat angles P-C4'-P energy: -46.321
tors. eta vs tors. theta energy: -88.577
Dist. restrs. and SS energy: 6.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1011.330341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.330341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.143735 (E_RNA)
where:
Base-Base interactions energy: -707.492
where: short stacking energy: -288.187
Base-Backbone interact. energy: -2.391
local terms energy: -302.260461
where:
bonds (distance) C4'-P energy: -49.892
bonds (distance) P-C4' energy: -74.346
flat angles C4'-P-C4' energy: -66.050
flat angles P-C4'-P energy: -39.889
tors. eta vs tors. theta energy: -72.083
Dist. restrs. and SS energy: 0.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -984.011540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.011540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.300453 (E_RNA)
where:
Base-Base interactions energy: -658.403
where: short stacking energy: -256.792
Base-Backbone interact. energy: -2.026
local terms energy: -329.871650
where:
bonds (distance) C4'-P energy: -65.034
bonds (distance) P-C4' energy: -72.103
flat angles C4'-P-C4' energy: -72.463
flat angles P-C4'-P energy: -47.351
tors. eta vs tors. theta energy: -72.920
Dist. restrs. and SS energy: 6.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -949.214934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.214934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.032454 (E_RNA)
where:
Base-Base interactions energy: -668.946
where: short stacking energy: -269.073
Base-Backbone interact. energy: -0.477
local terms energy: -281.609715
where:
bonds (distance) C4'-P energy: -55.713
bonds (distance) P-C4' energy: -57.146
flat angles C4'-P-C4' energy: -57.900
flat angles P-C4'-P energy: -41.406
tors. eta vs tors. theta energy: -69.445
Dist. restrs. and SS energy: 1.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -896.251954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.251954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.706057 (E_RNA)
where:
Base-Base interactions energy: -609.508
where: short stacking energy: -245.877
Base-Backbone interact. energy: -3.132
local terms energy: -293.065714
where:
bonds (distance) C4'-P energy: -63.574
bonds (distance) P-C4' energy: -61.865
flat angles C4'-P-C4' energy: -64.092
flat angles P-C4'-P energy: -53.378
tors. eta vs tors. theta energy: -50.156
Dist. restrs. and SS energy: 9.454 (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: 3
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -854.868559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.868559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.468606 (E_RNA)
where:
Base-Base interactions energy: -587.848
where: short stacking energy: -237.965
Base-Backbone interact. energy: -0.064
local terms energy: -269.556896
where:
bonds (distance) C4'-P energy: -53.373
bonds (distance) P-C4' energy: -55.093
flat angles C4'-P-C4' energy: -73.164
flat angles P-C4'-P energy: -35.639
tors. eta vs tors. theta energy: -52.289
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: 1, replica: 9
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1245.949022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.949022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.911648 (E_RNA)
where:
Base-Base interactions energy: -863.109
where: short stacking energy: -355.180
Base-Backbone interact. energy: -1.300
local terms energy: -388.503471
where:
bonds (distance) C4'-P energy: -73.897
bonds (distance) P-C4' energy: -76.686
flat angles C4'-P-C4' energy: -78.951
flat angles P-C4'-P energy: -56.024
tors. eta vs tors. theta energy: -102.946
Dist. restrs. and SS energy: 6.963 (S_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: 264
Temperature: 0.950000
Total energy: -1201.589516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.589516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.005797 (E_RNA)
where:
Base-Base interactions energy: -826.891
where: short stacking energy: -359.000
Base-Backbone interact. energy: -0.435
local terms energy: -376.680718
where:
bonds (distance) C4'-P energy: -70.988
bonds (distance) P-C4' energy: -74.442
flat angles C4'-P-C4' energy: -75.962
flat angles P-C4'-P energy: -52.165
tors. eta vs tors. theta energy: -103.124
Dist. restrs. and SS energy: 2.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1181.657585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.657585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.203858 (E_RNA)
where:
Base-Base interactions energy: -830.993
where: short stacking energy: -330.524
Base-Backbone interact. energy: -2.026
local terms energy: -352.185187
where:
bonds (distance) C4'-P energy: -66.865
bonds (distance) P-C4' energy: -64.641
flat angles C4'-P-C4' energy: -70.127
flat angles P-C4'-P energy: -54.353
tors. eta vs tors. theta energy: -96.200
Dist. restrs. and SS energy: 3.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1148.644385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.644385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.782794 (E_RNA)
where:
Base-Base interactions energy: -817.938
where: short stacking energy: -330.485
Base-Backbone interact. energy: 0.274
local terms energy: -337.118429
where:
bonds (distance) C4'-P energy: -57.136
bonds (distance) P-C4' energy: -65.171
flat angles C4'-P-C4' energy: -73.648
flat angles P-C4'-P energy: -50.332
tors. eta vs tors. theta energy: -90.831
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: 5, replica: 4
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1074.211368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.211368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.175213 (E_RNA)
where:
Base-Base interactions energy: -738.186
where: short stacking energy: -300.263
Base-Backbone interact. energy: 6.557
local terms energy: -346.546340
where:
bonds (distance) C4'-P energy: -57.118
bonds (distance) P-C4' energy: -71.514
flat angles C4'-P-C4' energy: -74.348
flat angles P-C4'-P energy: -52.533
tors. eta vs tors. theta energy: -91.033
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: 6, replica: 7
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -994.863011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.863011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.755518 (E_RNA)
where:
Base-Base interactions energy: -689.038
where: short stacking energy: -274.748
Base-Backbone interact. energy: 0.115
local terms energy: -307.831989
where:
bonds (distance) C4'-P energy: -50.470
bonds (distance) P-C4' energy: -70.522
flat angles C4'-P-C4' energy: -72.431
flat angles P-C4'-P energy: -43.837
tors. eta vs tors. theta energy: -70.571
Dist. restrs. and SS energy: 1.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1018.749076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.749076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.662720 (E_RNA)
where:
Base-Base interactions energy: -715.739
where: short stacking energy: -297.933
Base-Backbone interact. energy: -1.711
local terms energy: -305.212185
where:
bonds (distance) C4'-P energy: -55.685
bonds (distance) P-C4' energy: -67.452
flat angles C4'-P-C4' energy: -64.102
flat angles P-C4'-P energy: -40.558
tors. eta vs tors. theta energy: -77.415
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: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -965.583364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.583364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.468927 (E_RNA)
where:
Base-Base interactions energy: -698.002
where: short stacking energy: -283.909
Base-Backbone interact. energy: -0.455
local terms energy: -274.011199
where:
bonds (distance) C4'-P energy: -47.934
bonds (distance) P-C4' energy: -59.368
flat angles C4'-P-C4' energy: -59.699
flat angles P-C4'-P energy: -37.736
tors. eta vs tors. theta energy: -69.273
Dist. restrs. and SS energy: 6.886 (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: 5
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -913.801535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.801535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.574816 (E_RNA)
where:
Base-Base interactions energy: -625.283
where: short stacking energy: -250.005
Base-Backbone interact. energy: -3.349
local terms energy: -290.943062
where:
bonds (distance) C4'-P energy: -51.814
bonds (distance) P-C4' energy: -64.486
flat angles C4'-P-C4' energy: -74.708
flat angles P-C4'-P energy: -42.997
tors. eta vs tors. theta energy: -56.938
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: 10, replica: 3
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -868.830454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.830454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.777081 (E_RNA)
where:
Base-Base interactions energy: -612.215
where: short stacking energy: -232.869
Base-Backbone interact. energy: -0.963
local terms energy: -256.599040
where:
bonds (distance) C4'-P energy: -48.155
bonds (distance) P-C4' energy: -58.837
flat angles C4'-P-C4' energy: -48.200
flat angles P-C4'-P energy: -39.850
tors. eta vs tors. theta energy: -61.558
Dist. restrs. and SS energy: 0.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1242.812767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.812767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.982735 (E_RNA)
where:
Base-Base interactions energy: -870.906
where: short stacking energy: -361.324
Base-Backbone interact. energy: -2.562
local terms energy: -375.514743
where:
bonds (distance) C4'-P energy: -76.652
bonds (distance) P-C4' energy: -66.922
flat angles C4'-P-C4' energy: -76.057
flat angles P-C4'-P energy: -50.756
tors. eta vs tors. theta energy: -105.127
Dist. restrs. and SS energy: 6.170 (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: 8
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1166.411956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.411956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.041334 (E_RNA)
where:
Base-Base interactions energy: -799.922
where: short stacking energy: -333.362
Base-Backbone interact. energy: -0.690
local terms energy: -369.429800
where:
bonds (distance) C4'-P energy: -76.233
bonds (distance) P-C4' energy: -62.000
flat angles C4'-P-C4' energy: -80.328
flat angles P-C4'-P energy: -57.978
tors. eta vs tors. theta energy: -92.891
Dist. restrs. and SS energy: 3.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1170.340170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.340170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.564606 (E_RNA)
where:
Base-Base interactions energy: -808.139
where: short stacking energy: -333.953
Base-Backbone interact. energy: -2.171
local terms energy: -364.253951
where:
bonds (distance) C4'-P energy: -72.865
bonds (distance) P-C4' energy: -56.675
flat angles C4'-P-C4' energy: -80.497
flat angles P-C4'-P energy: -50.157
tors. eta vs tors. theta energy: -104.061
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: 4, replica: 6
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1117.017916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.017916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.173771 (E_RNA)
where:
Base-Base interactions energy: -794.552
where: short stacking energy: -323.182
Base-Backbone interact. energy: -0.479
local terms energy: -328.143109
where:
bonds (distance) C4'-P energy: -59.417
bonds (distance) P-C4' energy: -66.510
flat angles C4'-P-C4' energy: -67.249
flat angles P-C4'-P energy: -46.145
tors. eta vs tors. theta energy: -88.822
Dist. restrs. and SS energy: 6.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1049.918964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.918964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.394523 (E_RNA)
where:
Base-Base interactions energy: -753.646
where: short stacking energy: -293.093
Base-Backbone interact. energy: 0.069
local terms energy: -298.817472
where:
bonds (distance) C4'-P energy: -57.702
bonds (distance) P-C4' energy: -52.732
flat angles C4'-P-C4' energy: -69.197
flat angles P-C4'-P energy: -48.779
tors. eta vs tors. theta energy: -70.408
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: 6, replica: 10
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1048.733531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.733531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.423946 (E_RNA)
where:
Base-Base interactions energy: -758.667
where: short stacking energy: -299.271
Base-Backbone interact. energy: 0.898
local terms energy: -294.655016
where:
bonds (distance) C4'-P energy: -50.515
bonds (distance) P-C4' energy: -60.121
flat angles C4'-P-C4' energy: -62.084
flat angles P-C4'-P energy: -37.388
tors. eta vs tors. theta energy: -84.547
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: 7, replica: 7
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1009.728965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.728965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.863039 (E_RNA)
where:
Base-Base interactions energy: -716.702
where: short stacking energy: -277.019
Base-Backbone interact. energy: -0.937
local terms energy: -293.224423
where:
bonds (distance) C4'-P energy: -55.750
bonds (distance) P-C4' energy: -58.240
flat angles C4'-P-C4' energy: -69.898
flat angles P-C4'-P energy: -39.816
tors. eta vs tors. theta energy: -69.520
Dist. restrs. and SS energy: 1.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -948.204518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.204518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.854436 (E_RNA)
where:
Base-Base interactions energy: -658.031
where: short stacking energy: -257.763
Base-Backbone interact. energy: -0.982
local terms energy: -293.840809
where:
bonds (distance) C4'-P energy: -53.186
bonds (distance) P-C4' energy: -71.055
flat angles C4'-P-C4' energy: -64.589
flat angles P-C4'-P energy: -43.614
tors. eta vs tors. theta energy: -61.398
Dist. restrs. and SS energy: 4.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -921.335395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.335395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.847459 (E_RNA)
where:
Base-Base interactions energy: -671.225
where: short stacking energy: -267.914
Base-Backbone interact. energy: 4.590
local terms energy: -259.212665
where:
bonds (distance) C4'-P energy: -45.683
bonds (distance) P-C4' energy: -55.438
flat angles C4'-P-C4' energy: -62.903
flat angles P-C4'-P energy: -37.293
tors. eta vs tors. theta energy: -57.896
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: 10, replica: 3
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -879.703569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.703569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.145356 (E_RNA)
where:
Base-Base interactions energy: -609.740
where: short stacking energy: -229.542
Base-Backbone interact. energy: -1.197
local terms energy: -270.207740
where:
bonds (distance) C4'-P energy: -52.969
bonds (distance) P-C4' energy: -45.550
flat angles C4'-P-C4' energy: -68.507
flat angles P-C4'-P energy: -45.261
tors. eta vs tors. theta energy: -57.920
Dist. restrs. and SS energy: 1.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1233.306658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.306658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.617529 (E_RNA)
where:
Base-Base interactions energy: -855.081
where: short stacking energy: -342.613
Base-Backbone interact. energy: 0.882
local terms energy: -387.418353
where:
bonds (distance) C4'-P energy: -71.175
bonds (distance) P-C4' energy: -79.372
flat angles C4'-P-C4' energy: -83.935
flat angles P-C4'-P energy: -51.470
tors. eta vs tors. theta energy: -101.466
Dist. restrs. and SS energy: 8.311 (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: 8
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1201.692978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.692978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.099562 (E_RNA)
where:
Base-Base interactions energy: -824.471
where: short stacking energy: -340.492
Base-Backbone interact. energy: -2.377
local terms energy: -379.252094
where:
bonds (distance) C4'-P energy: -80.091
bonds (distance) P-C4' energy: -71.816
flat angles C4'-P-C4' energy: -75.930
flat angles P-C4'-P energy: -52.004
tors. eta vs tors. theta energy: -99.411
Dist. restrs. and SS energy: 4.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1173.262991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.262991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.456902 (E_RNA)
where:
Base-Base interactions energy: -827.820
where: short stacking energy: -322.694
Base-Backbone interact. energy: 1.850
local terms energy: -350.486450
where:
bonds (distance) C4'-P energy: -69.512
bonds (distance) P-C4' energy: -58.218
flat angles C4'-P-C4' energy: -70.568
flat angles P-C4'-P energy: -52.827
tors. eta vs tors. theta energy: -99.361
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: 4, replica: 6
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1131.358442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.358442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.167170 (E_RNA)
where:
Base-Base interactions energy: -784.708
where: short stacking energy: -321.463
Base-Backbone interact. energy: -1.213
local terms energy: -350.246599
where:
bonds (distance) C4'-P energy: -67.354
bonds (distance) P-C4' energy: -63.936
flat angles C4'-P-C4' energy: -72.759
flat angles P-C4'-P energy: -51.296
tors. eta vs tors. theta energy: -94.902
Dist. restrs. and SS energy: 4.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1083.253577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.253577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.120723 (E_RNA)
where:
Base-Base interactions energy: -763.617
where: short stacking energy: -314.607
Base-Backbone interact. energy: -1.950
local terms energy: -321.553724
where:
bonds (distance) C4'-P energy: -45.802
bonds (distance) P-C4' energy: -72.279
flat angles C4'-P-C4' energy: -74.694
flat angles P-C4'-P energy: -49.114
tors. eta vs tors. theta energy: -79.664
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: 6, replica: 4
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1042.171601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.171601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.931120 (E_RNA)
where:
Base-Base interactions energy: -729.558
where: short stacking energy: -280.395
Base-Backbone interact. energy: -0.992
local terms energy: -315.380828
where:
bonds (distance) C4'-P energy: -55.499
bonds (distance) P-C4' energy: -69.963
flat angles C4'-P-C4' energy: -61.750
flat angles P-C4'-P energy: -48.764
tors. eta vs tors. theta energy: -79.405
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: 7, replica: 7
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1004.687162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.687162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.754080 (E_RNA)
where:
Base-Base interactions energy: -708.012
where: short stacking energy: -277.018
Base-Backbone interact. energy: 1.024
local terms energy: -298.765769
where:
bonds (distance) C4'-P energy: -63.552
bonds (distance) P-C4' energy: -64.446
flat angles C4'-P-C4' energy: -64.275
flat angles P-C4'-P energy: -29.800
tors. eta vs tors. theta energy: -76.693
Dist. restrs. and SS energy: 1.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -942.667065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.667065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.352654 (E_RNA)
where:
Base-Base interactions energy: -652.550
where: short stacking energy: -252.621
Base-Backbone interact. energy: -2.399
local terms energy: -291.404037
where:
bonds (distance) C4'-P energy: -54.646
bonds (distance) P-C4' energy: -54.673
flat angles C4'-P-C4' energy: -72.926
flat angles P-C4'-P energy: -34.526
tors. eta vs tors. theta energy: -74.633
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: 9, replica: 3
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -903.408958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.408958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.095425 (E_RNA)
where:
Base-Base interactions energy: -622.054
where: short stacking energy: -244.727
Base-Backbone interact. energy: 2.799
local terms energy: -288.840387
where:
bonds (distance) C4'-P energy: -57.278
bonds (distance) P-C4' energy: -60.755
flat angles C4'-P-C4' energy: -64.483
flat angles P-C4'-P energy: -45.042
tors. eta vs tors. theta energy: -61.283
Dist. restrs. and SS energy: 4.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -864.625700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.625700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.621517 (E_RNA)
where:
Base-Base interactions energy: -613.811
where: short stacking energy: -223.449
Base-Backbone interact. energy: -2.364
local terms energy: -253.445951
where:
bonds (distance) C4'-P energy: -46.300
bonds (distance) P-C4' energy: -58.642
flat angles C4'-P-C4' energy: -67.993
flat angles P-C4'-P energy: -43.729
tors. eta vs tors. theta energy: -36.781
Dist. restrs. and SS energy: 4.996 (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: 9
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1249.917788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.917788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.358804 (E_RNA)
where:
Base-Base interactions energy: -853.864
where: short stacking energy: -372.516
Base-Backbone interact. energy: -1.517
local terms energy: -401.977285
where:
bonds (distance) C4'-P energy: -69.685
bonds (distance) P-C4' energy: -83.629
flat angles C4'-P-C4' energy: -76.594
flat angles P-C4'-P energy: -59.363
tors. eta vs tors. theta energy: -112.706
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: 2, replica: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1184.400904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.400904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.650702 (E_RNA)
where:
Base-Base interactions energy: -816.882
where: short stacking energy: -352.774
Base-Backbone interact. energy: -1.367
local terms energy: -370.402259
where:
bonds (distance) C4'-P energy: -67.232
bonds (distance) P-C4' energy: -65.278
flat angles C4'-P-C4' energy: -81.425
flat angles P-C4'-P energy: -57.287
tors. eta vs tors. theta energy: -99.181
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: 3, replica: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1188.544859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.544859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.112770 (E_RNA)
where:
Base-Base interactions energy: -841.374
where: short stacking energy: -362.696
Base-Backbone interact. energy: -0.913
local terms energy: -349.826037
where:
bonds (distance) C4'-P energy: -56.763
bonds (distance) P-C4' energy: -70.484
flat angles C4'-P-C4' energy: -71.350
flat angles P-C4'-P energy: -49.657
tors. eta vs tors. theta energy: -101.572
Dist. restrs. and SS energy: 3.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1098.798111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.798111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.310423 (E_RNA)
where:
Base-Base interactions energy: -772.558
where: short stacking energy: -307.267
Base-Backbone interact. energy: -3.355
local terms energy: -326.397677
where:
bonds (distance) C4'-P energy: -63.758
bonds (distance) P-C4' energy: -67.629
flat angles C4'-P-C4' energy: -67.433
flat angles P-C4'-P energy: -46.512
tors. eta vs tors. theta energy: -81.066
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: 6
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1105.809061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.809061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.577602 (E_RNA)
where:
Base-Base interactions energy: -771.493
where: short stacking energy: -326.595
Base-Backbone interact. energy: -3.435
local terms energy: -337.649287
where:
bonds (distance) C4'-P energy: -54.797
bonds (distance) P-C4' energy: -63.225
flat angles C4'-P-C4' energy: -70.791
flat angles P-C4'-P energy: -59.318
tors. eta vs tors. theta energy: -89.518
Dist. restrs. and SS energy: 6.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1066.294711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.294711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.491587 (E_RNA)
where:
Base-Base interactions energy: -755.485
where: short stacking energy: -303.139
Base-Backbone interact. energy: -1.506
local terms energy: -313.501114
where:
bonds (distance) C4'-P energy: -59.373
bonds (distance) P-C4' energy: -57.103
flat angles C4'-P-C4' energy: -75.284
flat angles P-C4'-P energy: -44.476
tors. eta vs tors. theta energy: -77.265
Dist. restrs. and SS energy: 4.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -982.093068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.093068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.711701 (E_RNA)
where:
Base-Base interactions energy: -693.947
where: short stacking energy: -277.621
Base-Backbone interact. energy: -2.966
local terms energy: -290.798934
where:
bonds (distance) C4'-P energy: -49.403
bonds (distance) P-C4' energy: -64.639
flat angles C4'-P-C4' energy: -64.335
flat angles P-C4'-P energy: -40.744
tors. eta vs tors. theta energy: -71.678
Dist. restrs. and SS energy: 5.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -941.833304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.833304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.151908 (E_RNA)
where:
Base-Base interactions energy: -647.414
where: short stacking energy: -260.975
Base-Backbone interact. energy: -1.802
local terms energy: -301.935945
where:
bonds (distance) C4'-P energy: -60.531
bonds (distance) P-C4' energy: -62.864
flat angles C4'-P-C4' energy: -72.319
flat angles P-C4'-P energy: -35.882
tors. eta vs tors. theta energy: -70.340
Dist. restrs. and SS energy: 9.319 (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: 3
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -897.668750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.668750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.072896 (E_RNA)
where:
Base-Base interactions energy: -620.379
where: short stacking energy: -246.183
Base-Backbone interact. energy: -0.130
local terms energy: -279.563985
where:
bonds (distance) C4'-P energy: -63.158
bonds (distance) P-C4' energy: -60.464
flat angles C4'-P-C4' energy: -73.468
flat angles P-C4'-P energy: -34.011
tors. eta vs tors. theta energy: -48.463
Dist. restrs. and SS energy: 2.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -868.165722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.165722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.645561 (E_RNA)
where:
Base-Base interactions energy: -625.562
where: short stacking energy: -253.422
Base-Backbone interact. energy: -0.901
local terms energy: -245.181905
where:
bonds (distance) C4'-P energy: -47.174
bonds (distance) P-C4' energy: -54.310
flat angles C4'-P-C4' energy: -43.719
flat angles P-C4'-P energy: -38.895
tors. eta vs tors. theta energy: -61.085
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: 1, replica: 9
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1244.647878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.647878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.963260 (E_RNA)
where:
Base-Base interactions energy: -874.876
where: short stacking energy: -357.505
Base-Backbone interact. energy: 1.270
local terms energy: -376.356962
where:
bonds (distance) C4'-P energy: -75.417
bonds (distance) P-C4' energy: -68.317
flat angles C4'-P-C4' energy: -74.065
flat angles P-C4'-P energy: -53.578
tors. eta vs tors. theta energy: -104.979
Dist. restrs. and SS energy: 5.315 (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: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1177.621542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.621542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.186927 (E_RNA)
where:
Base-Base interactions energy: -818.730
where: short stacking energy: -347.111
Base-Backbone interact. energy: -0.868
local terms energy: -361.589056
where:
bonds (distance) C4'-P energy: -69.600
bonds (distance) P-C4' energy: -56.762
flat angles C4'-P-C4' energy: -77.526
flat angles P-C4'-P energy: -56.122
tors. eta vs tors. theta energy: -101.580
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: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1196.012618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.012618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.182196 (E_RNA)
where:
Base-Base interactions energy: -835.948
where: short stacking energy: -340.477
Base-Backbone interact. energy: -2.806
local terms energy: -360.427956
where:
bonds (distance) C4'-P energy: -74.945
bonds (distance) P-C4' energy: -59.062
flat angles C4'-P-C4' energy: -80.235
flat angles P-C4'-P energy: -47.012
tors. eta vs tors. theta energy: -99.174
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: 4, replica: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1120.310331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.310331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.079820 (E_RNA)
where:
Base-Base interactions energy: -784.598
where: short stacking energy: -316.628
Base-Backbone interact. energy: -0.774
local terms energy: -338.708331
where:
bonds (distance) C4'-P energy: -66.035
bonds (distance) P-C4' energy: -67.328
flat angles C4'-P-C4' energy: -74.577
flat angles P-C4'-P energy: -42.083
tors. eta vs tors. theta energy: -88.686
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: 5, replica: 4
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1116.474427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.474427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.998620 (E_RNA)
where:
Base-Base interactions energy: -791.306
where: short stacking energy: -325.340
Base-Backbone interact. energy: 2.683
local terms energy: -332.374914
where:
bonds (distance) C4'-P energy: -56.651
bonds (distance) P-C4' energy: -66.700
flat angles C4'-P-C4' energy: -64.181
flat angles P-C4'-P energy: -55.236
tors. eta vs tors. theta energy: -89.606
Dist. restrs. and SS energy: 4.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1046.432077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.432077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.513212 (E_RNA)
where:
Base-Base interactions energy: -738.561
where: short stacking energy: -285.900
Base-Backbone interact. energy: -2.180
local terms energy: -309.772023
where:
bonds (distance) C4'-P energy: -49.173
bonds (distance) P-C4' energy: -69.606
flat angles C4'-P-C4' energy: -69.313
flat angles P-C4'-P energy: -45.175
tors. eta vs tors. theta energy: -76.506
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: 7, replica: 7
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -974.802046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.802046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.329252 (E_RNA)
where:
Base-Base interactions energy: -664.397
where: short stacking energy: -277.601
Base-Backbone interact. energy: 1.868
local terms energy: -314.800364
where:
bonds (distance) C4'-P energy: -70.721
bonds (distance) P-C4' energy: -63.169
flat angles C4'-P-C4' energy: -69.678
flat angles P-C4'-P energy: -43.528
tors. eta vs tors. theta energy: -67.705
Dist. restrs. and SS energy: 2.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -950.231598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.231598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.695704 (E_RNA)
where:
Base-Base interactions energy: -645.184
where: short stacking energy: -254.918
Base-Backbone interact. energy: -2.391
local terms energy: -308.121105
where:
bonds (distance) C4'-P energy: -64.903
bonds (distance) P-C4' energy: -66.772
flat angles C4'-P-C4' energy: -72.212
flat angles P-C4'-P energy: -45.868
tors. eta vs tors. theta energy: -58.367
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: 9, replica: 5
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -906.282241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.282241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.762774 (E_RNA)
where:
Base-Base interactions energy: -652.115
where: short stacking energy: -272.359
Base-Backbone interact. energy: -2.341
local terms energy: -258.306504
where:
bonds (distance) C4'-P energy: -51.161
bonds (distance) P-C4' energy: -62.811
flat angles C4'-P-C4' energy: -58.381
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: -71.388
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: 10, replica: 3
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -867.870243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.870243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.979369 (E_RNA)
where:
Base-Base interactions energy: -600.836
where: short stacking energy: -219.254
Base-Backbone interact. energy: -0.837
local terms energy: -270.305939
where:
bonds (distance) C4'-P energy: -60.315
bonds (distance) P-C4' energy: -60.046
flat angles C4'-P-C4' energy: -62.704
flat angles P-C4'-P energy: -42.466
tors. eta vs tors. theta energy: -44.775
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: 1, replica: 9
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1242.498203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.498203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.277232 (E_RNA)
where:
Base-Base interactions energy: -885.600
where: short stacking energy: -364.104
Base-Backbone interact. energy: -2.067
local terms energy: -361.609863
where:
bonds (distance) C4'-P energy: -60.351
bonds (distance) P-C4' energy: -67.979
flat angles C4'-P-C4' energy: -73.651
flat angles P-C4'-P energy: -60.156
tors. eta vs tors. theta energy: -99.473
Dist. restrs. and SS energy: 6.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1216.081873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.081873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.646836 (E_RNA)
where:
Base-Base interactions energy: -841.849
where: short stacking energy: -358.187
Base-Backbone interact. energy: -1.645
local terms energy: -376.152591
where:
bonds (distance) C4'-P energy: -66.289
bonds (distance) P-C4' energy: -60.644
flat angles C4'-P-C4' energy: -83.932
flat angles P-C4'-P energy: -58.751
tors. eta vs tors. theta energy: -106.537
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: 8
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1195.628664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.628664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.631236 (E_RNA)
where:
Base-Base interactions energy: -831.826
where: short stacking energy: -352.122
Base-Backbone interact. energy: -2.767
local terms energy: -364.037730
where:
bonds (distance) C4'-P energy: -66.428
bonds (distance) P-C4' energy: -65.312
flat angles C4'-P-C4' energy: -85.093
flat angles P-C4'-P energy: -45.249
tors. eta vs tors. theta energy: -101.955
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: 4, replica: 4
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1109.189204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.189204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.606673 (E_RNA)
where:
Base-Base interactions energy: -772.770
where: short stacking energy: -311.117
Base-Backbone interact. energy: -0.218
local terms energy: -338.619027
where:
bonds (distance) C4'-P energy: -64.798
bonds (distance) P-C4' energy: -70.671
flat angles C4'-P-C4' energy: -71.731
flat angles P-C4'-P energy: -49.904
tors. eta vs tors. theta energy: -81.516
Dist. restrs. and SS energy: 2.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1085.640475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.640475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.067951 (E_RNA)
where:
Base-Base interactions energy: -751.244
where: short stacking energy: -329.477
Base-Backbone interact. energy: -2.147
local terms energy: -336.676681
where:
bonds (distance) C4'-P energy: -61.131
bonds (distance) P-C4' energy: -74.473
flat angles C4'-P-C4' energy: -75.198
flat angles P-C4'-P energy: -38.989
tors. eta vs tors. theta energy: -86.887
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: 6, replica: 6
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1073.924032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.924032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.945654 (E_RNA)
where:
Base-Base interactions energy: -756.992
where: short stacking energy: -304.312
Base-Backbone interact. energy: -1.701
local terms energy: -321.252663
where:
bonds (distance) C4'-P energy: -53.096
bonds (distance) P-C4' energy: -66.673
flat angles C4'-P-C4' energy: -69.845
flat angles P-C4'-P energy: -52.138
tors. eta vs tors. theta energy: -79.501
Dist. restrs. and SS energy: 6.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -996.221935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.221935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.006531 (E_RNA)
where:
Base-Base interactions energy: -679.952
where: short stacking energy: -278.467
Base-Backbone interact. energy: 2.909
local terms energy: -324.963558
where:
bonds (distance) C4'-P energy: -59.960
bonds (distance) P-C4' energy: -66.995
flat angles C4'-P-C4' energy: -65.225
flat angles P-C4'-P energy: -48.441
tors. eta vs tors. theta energy: -84.341
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: 8, replica: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -950.950102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.950102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.164876 (E_RNA)
where:
Base-Base interactions energy: -661.814
where: short stacking energy: -263.190
Base-Backbone interact. energy: -2.219
local terms energy: -289.131988
where:
bonds (distance) C4'-P energy: -47.902
bonds (distance) P-C4' energy: -65.604
flat angles C4'-P-C4' energy: -66.982
flat angles P-C4'-P energy: -40.162
tors. eta vs tors. theta energy: -68.482
Dist. restrs. and SS energy: 2.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -897.557880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.557880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.145158 (E_RNA)
where:
Base-Base interactions energy: -636.719
where: short stacking energy: -251.632
Base-Backbone interact. energy: 0.199
local terms energy: -266.624464
where:
bonds (distance) C4'-P energy: -54.133
bonds (distance) P-C4' energy: -51.589
flat angles C4'-P-C4' energy: -53.393
flat angles P-C4'-P energy: -46.681
tors. eta vs tors. theta energy: -60.829
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: 10, replica: 3
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -867.125971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.125971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.179251 (E_RNA)
where:
Base-Base interactions energy: -621.474
where: short stacking energy: -241.663
Base-Backbone interact. energy: -0.229
local terms energy: -248.476295
where:
bonds (distance) C4'-P energy: -36.008
bonds (distance) P-C4' energy: -52.704
flat angles C4'-P-C4' energy: -57.006
flat angles P-C4'-P energy: -46.422
tors. eta vs tors. theta energy: -56.336
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: 1, replica: 9
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1243.488767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.488767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.101971 (E_RNA)
where:
Base-Base interactions energy: -875.524
where: short stacking energy: -361.381
Base-Backbone interact. energy: -2.633
local terms energy: -371.944704
where:
bonds (distance) C4'-P energy: -73.037
bonds (distance) P-C4' energy: -72.469
flat angles C4'-P-C4' energy: -68.376
flat angles P-C4'-P energy: -47.504
tors. eta vs tors. theta energy: -110.558
Dist. restrs. and SS energy: 6.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1205.109327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.109327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.831421 (E_RNA)
where:
Base-Base interactions energy: -853.074
where: short stacking energy: -349.820
Base-Backbone interact. energy: -0.562
local terms energy: -356.195467
where:
bonds (distance) C4'-P energy: -57.786
bonds (distance) P-C4' energy: -69.958
flat angles C4'-P-C4' energy: -68.024
flat angles P-C4'-P energy: -53.737
tors. eta vs tors. theta energy: -106.690
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: 3, replica: 8
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1175.192130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.192130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.031689 (E_RNA)
where:
Base-Base interactions energy: -830.912
where: short stacking energy: -355.204
Base-Backbone interact. energy: -3.028
local terms energy: -346.091524
where:
bonds (distance) C4'-P energy: -64.945
bonds (distance) P-C4' energy: -64.051
flat angles C4'-P-C4' energy: -64.876
flat angles P-C4'-P energy: -57.652
tors. eta vs tors. theta energy: -94.569
Dist. restrs. and SS energy: 4.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1141.403744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.403744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.761993 (E_RNA)
where:
Base-Base interactions energy: -811.062
where: short stacking energy: -333.355
Base-Backbone interact. energy: -1.980
local terms energy: -330.719688
where:
bonds (distance) C4'-P energy: -64.022
bonds (distance) P-C4' energy: -67.847
flat angles C4'-P-C4' energy: -63.488
flat angles P-C4'-P energy: -52.403
tors. eta vs tors. theta energy: -82.959
Dist. restrs. and SS energy: 2.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1094.901702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.901702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.157987 (E_RNA)
where:
Base-Base interactions energy: -755.675
where: short stacking energy: -317.138
Base-Backbone interact. energy: -1.790
local terms energy: -340.692655
where:
bonds (distance) C4'-P energy: -62.248
bonds (distance) P-C4' energy: -70.545
flat angles C4'-P-C4' energy: -64.317
flat angles P-C4'-P energy: -49.421
tors. eta vs tors. theta energy: -94.161
Dist. restrs. and SS energy: 3.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1046.959949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.959949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.817240 (E_RNA)
where:
Base-Base interactions energy: -729.089
where: short stacking energy: -306.030
Base-Backbone interact. energy: 0.771
local terms energy: -323.499513
where:
bonds (distance) C4'-P energy: -57.504
bonds (distance) P-C4' energy: -66.648
flat angles C4'-P-C4' energy: -65.700
flat angles P-C4'-P energy: -50.116
tors. eta vs tors. theta energy: -83.531
Dist. restrs. and SS energy: 4.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -965.654871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.654871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.486171 (E_RNA)
where:
Base-Base interactions energy: -685.368
where: short stacking energy: -268.329
Base-Backbone interact. energy: -3.320
local terms energy: -278.798398
where:
bonds (distance) C4'-P energy: -48.382
bonds (distance) P-C4' energy: -48.328
flat angles C4'-P-C4' energy: -70.967
flat angles P-C4'-P energy: -43.833
tors. eta vs tors. theta energy: -67.288
Dist. restrs. and SS energy: 1.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -968.671644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.671644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.248649 (E_RNA)
where:
Base-Base interactions energy: -668.912
where: short stacking energy: -279.937
Base-Backbone interact. energy: -1.490
local terms energy: -301.847387
where:
bonds (distance) C4'-P energy: -62.463
bonds (distance) P-C4' energy: -70.847
flat angles C4'-P-C4' energy: -61.138
flat angles P-C4'-P energy: -36.200
tors. eta vs tors. theta energy: -71.199
Dist. restrs. and SS energy: 3.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -889.613907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.613907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.369038 (E_RNA)
where:
Base-Base interactions energy: -627.688
where: short stacking energy: -246.019
Base-Backbone interact. energy: 1.228
local terms energy: -267.909603
where:
bonds (distance) C4'-P energy: -56.257
bonds (distance) P-C4' energy: -49.465
flat angles C4'-P-C4' energy: -67.577
flat angles P-C4'-P energy: -40.571
tors. eta vs tors. theta energy: -54.040
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: 10, replica: 3
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -841.949372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.949372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.056351 (E_RNA)
where:
Base-Base interactions energy: -589.718
where: short stacking energy: -229.792
Base-Backbone interact. energy: -0.851
local terms energy: -254.487693
where:
bonds (distance) C4'-P energy: -38.337
bonds (distance) P-C4' energy: -68.867
flat angles C4'-P-C4' energy: -58.869
flat angles P-C4'-P energy: -26.900
tors. eta vs tors. theta energy: -61.515
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: 1, replica: 9
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1244.772749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.772749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.596988 (E_RNA)
where:
Base-Base interactions energy: -862.678
where: short stacking energy: -361.908
Base-Backbone interact. energy: -0.307
local terms energy: -388.611264
where:
bonds (distance) C4'-P energy: -73.180
bonds (distance) P-C4' energy: -76.580
flat angles C4'-P-C4' energy: -76.201
flat angles P-C4'-P energy: -58.452
tors. eta vs tors. theta energy: -104.197
Dist. restrs. and SS energy: 6.824 (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: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1210.623971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.623971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.696436 (E_RNA)
where:
Base-Base interactions energy: -832.509
where: short stacking energy: -352.334
Base-Backbone interact. energy: -2.454
local terms energy: -380.732905
where:
bonds (distance) C4'-P energy: -65.390
bonds (distance) P-C4' energy: -73.331
flat angles C4'-P-C4' energy: -80.134
flat angles P-C4'-P energy: -57.131
tors. eta vs tors. theta energy: -104.748
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: 3, replica: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1155.988934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.988934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.067091 (E_RNA)
where:
Base-Base interactions energy: -819.619
where: short stacking energy: -351.001
Base-Backbone interact. energy: -0.830
local terms energy: -340.617389
where:
bonds (distance) C4'-P energy: -58.169
bonds (distance) P-C4' energy: -61.568
flat angles C4'-P-C4' energy: -79.484
flat angles P-C4'-P energy: -42.394
tors. eta vs tors. theta energy: -99.003
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: 4, replica: 4
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1130.981509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.981509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.262064 (E_RNA)
where:
Base-Base interactions energy: -795.373
where: short stacking energy: -320.315
Base-Backbone interact. energy: -2.052
local terms energy: -335.836927
where:
bonds (distance) C4'-P energy: -67.142
bonds (distance) P-C4' energy: -59.008
flat angles C4'-P-C4' energy: -81.256
flat angles P-C4'-P energy: -51.020
tors. eta vs tors. theta energy: -77.412
Dist. restrs. and SS energy: 2.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1069.318499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.318499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.929616 (E_RNA)
where:
Base-Base interactions energy: -737.156
where: short stacking energy: -317.985
Base-Backbone interact. energy: -3.451
local terms energy: -333.323002
where:
bonds (distance) C4'-P energy: -64.430
bonds (distance) P-C4' energy: -59.293
flat angles C4'-P-C4' energy: -68.607
flat angles P-C4'-P energy: -53.383
tors. eta vs tors. theta energy: -87.610
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: 6, replica: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1026.701491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.701491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.087453 (E_RNA)
where:
Base-Base interactions energy: -702.640
where: short stacking energy: -285.409
Base-Backbone interact. energy: -0.708
local terms energy: -325.739294
where:
bonds (distance) C4'-P energy: -62.223
bonds (distance) P-C4' energy: -60.283
flat angles C4'-P-C4' energy: -72.532
flat angles P-C4'-P energy: -47.842
tors. eta vs tors. theta energy: -82.859
Dist. restrs. and SS energy: 2.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1019.884302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.884302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.030559 (E_RNA)
where:
Base-Base interactions energy: -716.966
where: short stacking energy: -295.779
Base-Backbone interact. energy: 4.118
local terms energy: -311.182455
where:
bonds (distance) C4'-P energy: -50.166
bonds (distance) P-C4' energy: -56.771
flat angles C4'-P-C4' energy: -73.460
flat angles P-C4'-P energy: -50.554
tors. eta vs tors. theta energy: -80.232
Dist. restrs. and SS energy: 4.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -948.080324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.080324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.622298 (E_RNA)
where:
Base-Base interactions energy: -655.158
where: short stacking energy: -254.956
Base-Backbone interact. energy: 0.686
local terms energy: -300.150285
where:
bonds (distance) C4'-P energy: -46.125
bonds (distance) P-C4' energy: -54.307
flat angles C4'-P-C4' energy: -79.122
flat angles P-C4'-P energy: -52.748
tors. eta vs tors. theta energy: -67.848
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: 5
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -886.071843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.071843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.497056 (E_RNA)
where:
Base-Base interactions energy: -630.864
where: short stacking energy: -247.880
Base-Backbone interact. energy: 0.015
local terms energy: -265.648765
where:
bonds (distance) C4'-P energy: -59.666
bonds (distance) P-C4' energy: -60.036
flat angles C4'-P-C4' energy: -60.980
flat angles P-C4'-P energy: -28.416
tors. eta vs tors. theta energy: -56.551
Dist. restrs. and SS energy: 10.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -874.161297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.161297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.480533 (E_RNA)
where:
Base-Base interactions energy: -620.142
where: short stacking energy: -265.680
Base-Backbone interact. energy: 2.099
local terms energy: -259.437748
where:
bonds (distance) C4'-P energy: -42.091
bonds (distance) P-C4' energy: -66.687
flat angles C4'-P-C4' energy: -46.190
flat angles P-C4'-P energy: -34.373
tors. eta vs tors. theta energy: -70.096
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: 1, replica: 9
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1241.243358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.243358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.593559 (E_RNA)
where:
Base-Base interactions energy: -867.868
where: short stacking energy: -360.840
Base-Backbone interact. energy: -1.189
local terms energy: -378.536155
where:
bonds (distance) C4'-P energy: -71.551
bonds (distance) P-C4' energy: -68.063
flat angles C4'-P-C4' energy: -76.161
flat angles P-C4'-P energy: -55.264
tors. eta vs tors. theta energy: -107.497
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: 2, replica: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1203.091557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.091557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.011328 (E_RNA)
where:
Base-Base interactions energy: -826.375
where: short stacking energy: -347.662
Base-Backbone interact. energy: -4.999
local terms energy: -376.637067
where:
bonds (distance) C4'-P energy: -69.636
bonds (distance) P-C4' energy: -72.349
flat angles C4'-P-C4' energy: -75.308
flat angles P-C4'-P energy: -54.118
tors. eta vs tors. theta energy: -105.225
Dist. restrs. and SS energy: 4.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1158.183208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.183208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.948175 (E_RNA)
where:
Base-Base interactions energy: -828.631
where: short stacking energy: -332.941
Base-Backbone interact. energy: -3.251
local terms energy: -332.066176
where:
bonds (distance) C4'-P energy: -53.351
bonds (distance) P-C4' energy: -71.885
flat angles C4'-P-C4' energy: -74.461
flat angles P-C4'-P energy: -45.498
tors. eta vs tors. theta energy: -86.871
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: 4, replica: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1131.920787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.920787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.037815 (E_RNA)
where:
Base-Base interactions energy: -765.141
where: short stacking energy: -307.264
Base-Backbone interact. energy: -3.238
local terms energy: -366.659412
where:
bonds (distance) C4'-P energy: -72.828
bonds (distance) P-C4' energy: -75.284
flat angles C4'-P-C4' energy: -76.647
flat angles P-C4'-P energy: -53.899
tors. eta vs tors. theta energy: -88.001
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: 10
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1077.961050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.961050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.784871 (E_RNA)
where:
Base-Base interactions energy: -733.606
where: short stacking energy: -305.683
Base-Backbone interact. energy: -1.467
local terms energy: -346.711521
where:
bonds (distance) C4'-P energy: -70.687
bonds (distance) P-C4' energy: -72.899
flat angles C4'-P-C4' energy: -70.288
flat angles P-C4'-P energy: -46.886
tors. eta vs tors. theta energy: -85.951
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: 6, replica: 1
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1032.123741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.123741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.164880 (E_RNA)
where:
Base-Base interactions energy: -706.545
where: short stacking energy: -294.349
Base-Backbone interact. energy: 0.721
local terms energy: -327.341209
where:
bonds (distance) C4'-P energy: -53.754
bonds (distance) P-C4' energy: -70.635
flat angles C4'-P-C4' energy: -76.746
flat angles P-C4'-P energy: -47.300
tors. eta vs tors. theta energy: -78.907
Dist. restrs. and SS energy: 1.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1009.317235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.317235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.393429 (E_RNA)
where:
Base-Base interactions energy: -724.933
where: short stacking energy: -279.831
Base-Backbone interact. energy: 6.295
local terms energy: -295.755872
where:
bonds (distance) C4'-P energy: -55.355
bonds (distance) P-C4' energy: -65.940
flat angles C4'-P-C4' energy: -55.857
flat angles P-C4'-P energy: -49.963
tors. eta vs tors. theta energy: -68.640
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: 7
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -950.955406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.955406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.762141 (E_RNA)
where:
Base-Base interactions energy: -673.870
where: short stacking energy: -257.717
Base-Backbone interact. energy: 0.230
local terms energy: -283.121843
where:
bonds (distance) C4'-P energy: -53.503
bonds (distance) P-C4' energy: -55.882
flat angles C4'-P-C4' energy: -58.073
flat angles P-C4'-P energy: -34.458
tors. eta vs tors. theta energy: -81.205
Dist. restrs. and SS energy: 5.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -887.291203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.291203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.924038 (E_RNA)
where:
Base-Base interactions energy: -624.242
where: short stacking energy: -249.108
Base-Backbone interact. energy: -0.944
local terms energy: -267.737857
where:
bonds (distance) C4'-P energy: -57.163
bonds (distance) P-C4' energy: -60.161
flat angles C4'-P-C4' energy: -56.878
flat angles P-C4'-P energy: -35.798
tors. eta vs tors. theta energy: -57.737
Dist. restrs. and SS energy: 5.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -874.765245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.765245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.884247 (E_RNA)
where:
Base-Base interactions energy: -626.971
where: short stacking energy: -249.001
Base-Backbone interact. energy: -1.863
local terms energy: -248.050328
where:
bonds (distance) C4'-P energy: -55.102
bonds (distance) P-C4' energy: -40.729
flat angles C4'-P-C4' energy: -55.924
flat angles P-C4'-P energy: -39.877
tors. eta vs tors. theta energy: -56.419
Dist. restrs. and SS energy: 2.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1240.376613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.376613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.263118 (E_RNA)
where:
Base-Base interactions energy: -858.264
where: short stacking energy: -359.591
Base-Backbone interact. energy: -1.110
local terms energy: -388.888752
where:
bonds (distance) C4'-P energy: -77.912
bonds (distance) P-C4' energy: -67.082
flat angles C4'-P-C4' energy: -77.136
flat angles P-C4'-P energy: -58.080
tors. eta vs tors. theta energy: -108.678
Dist. restrs. and SS energy: 7.887 (S_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: 273
Temperature: 0.950000
Total energy: -1211.270931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.270931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.452044 (E_RNA)
where:
Base-Base interactions energy: -846.788
where: short stacking energy: -350.642
Base-Backbone interact. energy: -4.061
local terms energy: -363.603510
where:
bonds (distance) C4'-P energy: -65.264
bonds (distance) P-C4' energy: -68.964
flat angles C4'-P-C4' energy: -75.790
flat angles P-C4'-P energy: -52.728
tors. eta vs tors. theta energy: -100.858
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: 3, replica: 4
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1174.934454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.934454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.681198 (E_RNA)
where:
Base-Base interactions energy: -824.139
where: short stacking energy: -346.203
Base-Backbone interact. energy: -1.967
local terms energy: -351.575137
where:
bonds (distance) C4'-P energy: -76.641
bonds (distance) P-C4' energy: -59.147
flat angles C4'-P-C4' energy: -70.094
flat angles P-C4'-P energy: -52.414
tors. eta vs tors. theta energy: -93.279
Dist. restrs. and SS energy: 2.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1130.433322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.433322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.322709 (E_RNA)
where:
Base-Base interactions energy: -783.412
where: short stacking energy: -340.405
Base-Backbone interact. energy: -1.989
local terms energy: -348.921332
where:
bonds (distance) C4'-P energy: -66.309
bonds (distance) P-C4' energy: -69.085
flat angles C4'-P-C4' energy: -72.483
flat angles P-C4'-P energy: -44.343
tors. eta vs tors. theta energy: -96.702
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: 5, replica: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1098.611484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.611484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.929750 (E_RNA)
where:
Base-Base interactions energy: -752.134
where: short stacking energy: -302.306
Base-Backbone interact. energy: -0.749
local terms energy: -350.046576
where:
bonds (distance) C4'-P energy: -63.013
bonds (distance) P-C4' energy: -65.982
flat angles C4'-P-C4' energy: -81.373
flat angles P-C4'-P energy: -47.631
tors. eta vs tors. theta energy: -92.047
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: 1
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1031.560304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.560304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.442051 (E_RNA)
where:
Base-Base interactions energy: -715.762
where: short stacking energy: -297.665
Base-Backbone interact. energy: -0.276
local terms energy: -318.403608
where:
bonds (distance) C4'-P energy: -61.358
bonds (distance) P-C4' energy: -58.534
flat angles C4'-P-C4' energy: -72.607
flat angles P-C4'-P energy: -45.388
tors. eta vs tors. theta energy: -80.517
Dist. restrs. and SS energy: 2.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1001.487196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.487196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.969922 (E_RNA)
where:
Base-Base interactions energy: -673.482
where: short stacking energy: -260.787
Base-Backbone interact. energy: -0.890
local terms energy: -331.598147
where:
bonds (distance) C4'-P energy: -67.201
bonds (distance) P-C4' energy: -65.434
flat angles C4'-P-C4' energy: -80.852
flat angles P-C4'-P energy: -46.999
tors. eta vs tors. theta energy: -71.111
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: 7
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -940.321331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.321331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.930236 (E_RNA)
where:
Base-Base interactions energy: -664.332
where: short stacking energy: -267.041
Base-Backbone interact. energy: 4.922
local terms energy: -284.520185
where:
bonds (distance) C4'-P energy: -56.021
bonds (distance) P-C4' energy: -55.820
flat angles C4'-P-C4' energy: -69.561
flat angles P-C4'-P energy: -42.523
tors. eta vs tors. theta energy: -60.595
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: 3
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -908.864912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.864912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.586981 (E_RNA)
where:
Base-Base interactions energy: -642.741
where: short stacking energy: -260.578
Base-Backbone interact. energy: -0.931
local terms energy: -272.915063
where:
bonds (distance) C4'-P energy: -66.304
bonds (distance) P-C4' energy: -54.243
flat angles C4'-P-C4' energy: -55.694
flat angles P-C4'-P energy: -36.508
tors. eta vs tors. theta energy: -60.166
Dist. restrs. and SS energy: 7.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -897.597459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.597459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.826802 (E_RNA)
where:
Base-Base interactions energy: -626.867
where: short stacking energy: -249.058
Base-Backbone interact. energy: -2.451
local terms energy: -277.509550
where:
bonds (distance) C4'-P energy: -52.386
bonds (distance) P-C4' energy: -58.415
flat angles C4'-P-C4' energy: -53.726
flat angles P-C4'-P energy: -48.305
tors. eta vs tors. theta energy: -64.677
Dist. restrs. and SS energy: 9.229 (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: 2
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1222.345551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.345551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.739641 (E_RNA)
where:
Base-Base interactions energy: -845.019
where: short stacking energy: -353.057
Base-Backbone interact. energy: -3.597
local terms energy: -377.123467
where:
bonds (distance) C4'-P energy: -71.940
bonds (distance) P-C4' energy: -74.138
flat angles C4'-P-C4' energy: -78.335
flat angles P-C4'-P energy: -54.404
tors. eta vs tors. theta energy: -98.307
Dist. restrs. and SS energy: 3.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1217.772034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.772034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.892063 (E_RNA)
where:
Base-Base interactions energy: -860.212
where: short stacking energy: -354.259
Base-Backbone interact. energy: 0.683
local terms energy: -365.362626
where:
bonds (distance) C4'-P energy: -61.646
bonds (distance) P-C4' energy: -76.044
flat angles C4'-P-C4' energy: -67.695
flat angles P-C4'-P energy: -54.091
tors. eta vs tors. theta energy: -105.887
Dist. restrs. and SS energy: 7.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1171.093379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.093379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.776611 (E_RNA)
where:
Base-Base interactions energy: -818.046
where: short stacking energy: -340.520
Base-Backbone interact. energy: -0.634
local terms energy: -356.096888
where:
bonds (distance) C4'-P energy: -54.668
bonds (distance) P-C4' energy: -72.808
flat angles C4'-P-C4' energy: -72.847
flat angles P-C4'-P energy: -57.688
tors. eta vs tors. theta energy: -98.086
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: 4, replica: 10
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1105.893831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.893831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.481467 (E_RNA)
where:
Base-Base interactions energy: -771.011
where: short stacking energy: -316.470
Base-Backbone interact. energy: -0.173
local terms energy: -338.297482
where:
bonds (distance) C4'-P energy: -65.826
bonds (distance) P-C4' energy: -71.464
flat angles C4'-P-C4' energy: -71.101
flat angles P-C4'-P energy: -49.215
tors. eta vs tors. theta energy: -80.692
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: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1095.457849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.457849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.773591 (E_RNA)
where:
Base-Base interactions energy: -761.174
where: short stacking energy: -310.577
Base-Backbone interact. energy: -0.405
local terms energy: -337.194355
where:
bonds (distance) C4'-P energy: -63.437
bonds (distance) P-C4' energy: -55.479
flat angles C4'-P-C4' energy: -67.653
flat angles P-C4'-P energy: -52.757
tors. eta vs tors. theta energy: -97.869
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: 6, replica: 1
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1022.963843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.963843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.795616 (E_RNA)
where:
Base-Base interactions energy: -703.502
where: short stacking energy: -287.656
Base-Backbone interact. energy: 0.121
local terms energy: -320.414522
where:
bonds (distance) C4'-P energy: -64.289
bonds (distance) P-C4' energy: -67.162
flat angles C4'-P-C4' energy: -69.749
flat angles P-C4'-P energy: -45.155
tors. eta vs tors. theta energy: -74.060
Dist. restrs. and SS energy: 0.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -985.533966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.533966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.244759 (E_RNA)
where:
Base-Base interactions energy: -695.479
where: short stacking energy: -283.731
Base-Backbone interact. energy: -0.561
local terms energy: -294.205622
where:
bonds (distance) C4'-P energy: -60.072
bonds (distance) P-C4' energy: -55.490
flat angles C4'-P-C4' energy: -68.780
flat angles P-C4'-P energy: -43.373
tors. eta vs tors. theta energy: -66.491
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: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -978.048762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.048762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.218914 (E_RNA)
where:
Base-Base interactions energy: -686.468
where: short stacking energy: -262.154
Base-Backbone interact. energy: 1.153
local terms energy: -295.903288
where:
bonds (distance) C4'-P energy: -51.048
bonds (distance) P-C4' energy: -68.772
flat angles C4'-P-C4' energy: -68.982
flat angles P-C4'-P energy: -41.268
tors. eta vs tors. theta energy: -65.834
Dist. restrs. and SS energy: 3.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -937.278946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.278946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.725788 (E_RNA)
where:
Base-Base interactions energy: -652.275
where: short stacking energy: -257.704
Base-Backbone interact. energy: -2.443
local terms energy: -284.007819
where:
bonds (distance) C4'-P energy: -54.308
bonds (distance) P-C4' energy: -64.806
flat angles C4'-P-C4' energy: -59.898
flat angles P-C4'-P energy: -46.928
tors. eta vs tors. theta energy: -58.067
Dist. restrs. and SS energy: 1.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -842.716261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.716261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.952752 (E_RNA)
where:
Base-Base interactions energy: -615.043
where: short stacking energy: -249.193
Base-Backbone interact. energy: -1.391
local terms energy: -233.518703
where:
bonds (distance) C4'-P energy: -59.930
bonds (distance) P-C4' energy: -41.068
flat angles C4'-P-C4' energy: -50.441
flat angles P-C4'-P energy: -26.812
tors. eta vs tors. theta energy: -55.269
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: 1, replica: 2
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1218.331825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.331825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.018519 (E_RNA)
where:
Base-Base interactions energy: -846.946
where: short stacking energy: -355.032
Base-Backbone interact. energy: -1.025
local terms energy: -375.048433
where:
bonds (distance) C4'-P energy: -64.284
bonds (distance) P-C4' energy: -75.005
flat angles C4'-P-C4' energy: -79.048
flat angles P-C4'-P energy: -53.282
tors. eta vs tors. theta energy: -103.429
Dist. restrs. and SS energy: 4.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1202.252567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.252567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.086185 (E_RNA)
where:
Base-Base interactions energy: -824.324
where: short stacking energy: -348.920
Base-Backbone interact. energy: -1.847
local terms energy: -384.914873
where:
bonds (distance) C4'-P energy: -70.037
bonds (distance) P-C4' energy: -76.332
flat angles C4'-P-C4' energy: -78.412
flat angles P-C4'-P energy: -52.944
tors. eta vs tors. theta energy: -107.189
Dist. restrs. and SS energy: 8.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1164.638380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.638380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.730370 (E_RNA)
where:
Base-Base interactions energy: -801.878
where: short stacking energy: -343.799
Base-Backbone interact. energy: -1.012
local terms energy: -369.839871
where:
bonds (distance) C4'-P energy: -69.340
bonds (distance) P-C4' energy: -70.040
flat angles C4'-P-C4' energy: -76.214
flat angles P-C4'-P energy: -55.274
tors. eta vs tors. theta energy: -98.973
Dist. restrs. and SS energy: 8.092 (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: 10
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1145.133166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.133166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.639506 (E_RNA)
where:
Base-Base interactions energy: -802.587
where: short stacking energy: -323.548
Base-Backbone interact. energy: -0.375
local terms energy: -346.677894
where:
bonds (distance) C4'-P energy: -62.375
bonds (distance) P-C4' energy: -68.505
flat angles C4'-P-C4' energy: -68.748
flat angles P-C4'-P energy: -47.682
tors. eta vs tors. theta energy: -99.369
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: 8
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1094.057515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.057515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.398451 (E_RNA)
where:
Base-Base interactions energy: -756.295
where: short stacking energy: -307.095
Base-Backbone interact. energy: -1.976
local terms energy: -339.127316
where:
bonds (distance) C4'-P energy: -62.939
bonds (distance) P-C4' energy: -66.611
flat angles C4'-P-C4' energy: -79.610
flat angles P-C4'-P energy: -46.782
tors. eta vs tors. theta energy: -83.185
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: 6, replica: 1
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1009.869352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.869352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.278994 (E_RNA)
where:
Base-Base interactions energy: -688.670
where: short stacking energy: -270.720
Base-Backbone interact. energy: 0.634
local terms energy: -325.243321
where:
bonds (distance) C4'-P energy: -70.286
bonds (distance) P-C4' energy: -65.410
flat angles C4'-P-C4' energy: -75.022
flat angles P-C4'-P energy: -41.032
tors. eta vs tors. theta energy: -73.494
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: 7, replica: 7
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -977.017214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.017214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.220709 (E_RNA)
where:
Base-Base interactions energy: -671.665
where: short stacking energy: -273.122
Base-Backbone interact. energy: 0.984
local terms energy: -307.540518
where:
bonds (distance) C4'-P energy: -61.660
bonds (distance) P-C4' energy: -65.952
flat angles C4'-P-C4' energy: -63.800
flat angles P-C4'-P energy: -44.704
tors. eta vs tors. theta energy: -71.425
Dist. restrs. and SS energy: 1.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -981.727425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.727425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.651773 (E_RNA)
where:
Base-Base interactions energy: -690.192
where: short stacking energy: -269.740
Base-Backbone interact. energy: -1.566
local terms energy: -294.893079
where:
bonds (distance) C4'-P energy: -59.587
bonds (distance) P-C4' energy: -57.406
flat angles C4'-P-C4' energy: -69.549
flat angles P-C4'-P energy: -40.529
tors. eta vs tors. theta energy: -67.823
Dist. restrs. and SS energy: 4.924 (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: 5
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -901.993325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.993325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.111109 (E_RNA)
where:
Base-Base interactions energy: -628.411
where: short stacking energy: -246.212
Base-Backbone interact. energy: 0.384
local terms energy: -282.083962
where:
bonds (distance) C4'-P energy: -50.179
bonds (distance) P-C4' energy: -58.076
flat angles C4'-P-C4' energy: -57.910
flat angles P-C4'-P energy: -51.665
tors. eta vs tors. theta energy: -64.254
Dist. restrs. and SS energy: 8.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -872.132848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.132848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.186885 (E_RNA)
where:
Base-Base interactions energy: -629.147
where: short stacking energy: -251.020
Base-Backbone interact. energy: -1.039
local terms energy: -254.000656
where:
bonds (distance) C4'-P energy: -49.476
bonds (distance) P-C4' energy: -52.249
flat angles C4'-P-C4' energy: -51.879
flat angles P-C4'-P energy: -40.491
tors. eta vs tors. theta energy: -59.907
Dist. restrs. and SS energy: 12.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1256.347395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.347395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.961195 (E_RNA)
where:
Base-Base interactions energy: -871.025
where: short stacking energy: -368.727
Base-Backbone interact. energy: 1.773
local terms energy: -390.709509
where:
bonds (distance) C4'-P energy: -67.868
bonds (distance) P-C4' energy: -72.186
flat angles C4'-P-C4' energy: -79.231
flat angles P-C4'-P energy: -60.763
tors. eta vs tors. theta energy: -110.662
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: 2, replica: 9
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1231.164017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.164017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.218430 (E_RNA)
where:
Base-Base interactions energy: -863.972
where: short stacking energy: -359.676
Base-Backbone interact. energy: 1.929
local terms energy: -375.175679
where:
bonds (distance) C4'-P energy: -69.721
bonds (distance) P-C4' energy: -73.302
flat angles C4'-P-C4' energy: -72.401
flat angles P-C4'-P energy: -55.624
tors. eta vs tors. theta energy: -104.128
Dist. restrs. and SS energy: 6.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1165.067746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.067746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.359458 (E_RNA)
where:
Base-Base interactions energy: -800.873
where: short stacking energy: -329.851
Base-Backbone interact. energy: -0.929
local terms energy: -366.557107
where:
bonds (distance) C4'-P energy: -68.036
bonds (distance) P-C4' energy: -68.185
flat angles C4'-P-C4' energy: -81.003
flat angles P-C4'-P energy: -47.750
tors. eta vs tors. theta energy: -101.583
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: 10
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1130.663113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.663113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.966367 (E_RNA)
where:
Base-Base interactions energy: -787.498
where: short stacking energy: -323.243
Base-Backbone interact. energy: -0.402
local terms energy: -346.066934
where:
bonds (distance) C4'-P energy: -54.945
bonds (distance) P-C4' energy: -62.084
flat angles C4'-P-C4' energy: -71.056
flat angles P-C4'-P energy: -58.479
tors. eta vs tors. theta energy: -99.503
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: 5, replica: 8
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1095.337889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.337889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.422042 (E_RNA)
where:
Base-Base interactions energy: -758.376
where: short stacking energy: -302.776
Base-Backbone interact. energy: -1.210
local terms energy: -339.835534
where:
bonds (distance) C4'-P energy: -60.702
bonds (distance) P-C4' energy: -69.521
flat angles C4'-P-C4' energy: -75.497
flat angles P-C4'-P energy: -47.106
tors. eta vs tors. theta energy: -87.008
Dist. restrs. and SS energy: 4.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1006.954926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.954926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.318146 (E_RNA)
where:
Base-Base interactions energy: -687.023
where: short stacking energy: -274.047
Base-Backbone interact. energy: -1.336
local terms energy: -322.959635
where:
bonds (distance) C4'-P energy: -66.412
bonds (distance) P-C4' energy: -70.790
flat angles C4'-P-C4' energy: -72.400
flat angles P-C4'-P energy: -39.889
tors. eta vs tors. theta energy: -73.468
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: 6
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -999.774416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.774416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.034363 (E_RNA)
where:
Base-Base interactions energy: -704.523
where: short stacking energy: -273.845
Base-Backbone interact. energy: -1.099
local terms energy: -300.412737
where:
bonds (distance) C4'-P energy: -59.233
bonds (distance) P-C4' energy: -45.447
flat angles C4'-P-C4' energy: -61.042
flat angles P-C4'-P energy: -51.572
tors. eta vs tors. theta energy: -83.119
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: 8, replica: 7
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -921.171710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.171710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.451902 (E_RNA)
where:
Base-Base interactions energy: -641.223
where: short stacking energy: -250.605
Base-Backbone interact. energy: -1.259
local terms energy: -281.970226
where:
bonds (distance) C4'-P energy: -51.847
bonds (distance) P-C4' energy: -58.200
flat angles C4'-P-C4' energy: -65.698
flat angles P-C4'-P energy: -46.164
tors. eta vs tors. theta energy: -60.062
Dist. restrs. and SS energy: 3.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -894.592552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.592552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.162776 (E_RNA)
where:
Base-Base interactions energy: -631.273
where: short stacking energy: -251.415
Base-Backbone interact. energy: 0.770
local terms energy: -269.660584
where:
bonds (distance) C4'-P energy: -40.182
bonds (distance) P-C4' energy: -54.118
flat angles C4'-P-C4' energy: -63.872
flat angles P-C4'-P energy: -44.714
tors. eta vs tors. theta energy: -66.775
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: 10, replica: 5
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -902.764579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.764579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.099139 (E_RNA)
where:
Base-Base interactions energy: -619.031
where: short stacking energy: -262.574
Base-Backbone interact. energy: -0.599
local terms energy: -288.469303
where:
bonds (distance) C4'-P energy: -62.837
bonds (distance) P-C4' energy: -62.648
flat angles C4'-P-C4' energy: -53.779
flat angles P-C4'-P energy: -37.548
tors. eta vs tors. theta energy: -71.657
Dist. restrs. and SS energy: 5.335 (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: 2
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1257.212140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.212140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.348609 (E_RNA)
where:
Base-Base interactions energy: -887.454
where: short stacking energy: -368.882
Base-Backbone interact. energy: -0.312
local terms energy: -372.582838
where:
bonds (distance) C4'-P energy: -71.536
bonds (distance) P-C4' energy: -64.931
flat angles C4'-P-C4' energy: -86.263
flat angles P-C4'-P energy: -47.551
tors. eta vs tors. theta energy: -102.303
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: 2, replica: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1234.871602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.871602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.168778 (E_RNA)
where:
Base-Base interactions energy: -867.911
where: short stacking energy: -378.206
Base-Backbone interact. energy: 0.312
local terms energy: -374.570200
where:
bonds (distance) C4'-P energy: -67.655
bonds (distance) P-C4' energy: -74.077
flat angles C4'-P-C4' energy: -76.548
flat angles P-C4'-P energy: -45.959
tors. eta vs tors. theta energy: -110.331
Dist. restrs. and SS energy: 7.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1175.676244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.676244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.085839 (E_RNA)
where:
Base-Base interactions energy: -821.083
where: short stacking energy: -338.784
Base-Backbone interact. energy: -2.039
local terms energy: -355.964062
where:
bonds (distance) C4'-P energy: -64.091
bonds (distance) P-C4' energy: -72.478
flat angles C4'-P-C4' energy: -74.634
flat angles P-C4'-P energy: -57.951
tors. eta vs tors. theta energy: -86.811
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: 10
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1146.625768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.625768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.590657 (E_RNA)
where:
Base-Base interactions energy: -803.625
where: short stacking energy: -316.461
Base-Backbone interact. energy: 1.079
local terms energy: -347.044863
where:
bonds (distance) C4'-P energy: -70.475
bonds (distance) P-C4' energy: -52.060
flat angles C4'-P-C4' energy: -81.515
flat angles P-C4'-P energy: -50.617
tors. eta vs tors. theta energy: -92.378
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: 5, replica: 8
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1067.684281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.684281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.356756 (E_RNA)
where:
Base-Base interactions energy: -743.069
where: short stacking energy: -304.988
Base-Backbone interact. energy: -2.802
local terms energy: -326.485847
where:
bonds (distance) C4'-P energy: -59.729
bonds (distance) P-C4' energy: -66.336
flat angles C4'-P-C4' energy: -70.703
flat angles P-C4'-P energy: -46.402
tors. eta vs tors. theta energy: -83.317
Dist. restrs. and SS energy: 4.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1040.162151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.162151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.991901 (E_RNA)
where:
Base-Base interactions energy: -732.432
where: short stacking energy: -294.334
Base-Backbone interact. energy: -0.283
local terms energy: -313.276577
where:
bonds (distance) C4'-P energy: -52.327
bonds (distance) P-C4' energy: -62.346
flat angles C4'-P-C4' energy: -68.903
flat angles P-C4'-P energy: -55.121
tors. eta vs tors. theta energy: -74.580
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: 1
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -971.732351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.732351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.908952 (E_RNA)
where:
Base-Base interactions energy: -705.816
where: short stacking energy: -281.405
Base-Backbone interact. energy: 6.179
local terms energy: -275.271238
where:
bonds (distance) C4'-P energy: -50.109
bonds (distance) P-C4' energy: -64.511
flat angles C4'-P-C4' energy: -67.371
flat angles P-C4'-P energy: -30.956
tors. eta vs tors. theta energy: -62.324
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: 8, replica: 7
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -949.041507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.041507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.872665 (E_RNA)
where:
Base-Base interactions energy: -664.334
where: short stacking energy: -264.646
Base-Backbone interact. energy: -0.542
local terms energy: -288.996601
where:
bonds (distance) C4'-P energy: -51.457
bonds (distance) P-C4' energy: -59.055
flat angles C4'-P-C4' energy: -58.959
flat angles P-C4'-P energy: -51.525
tors. eta vs tors. theta energy: -68.000
Dist. restrs. and SS energy: 4.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -893.858822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.858822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.024203 (E_RNA)
where:
Base-Base interactions energy: -631.212
where: short stacking energy: -248.310
Base-Backbone interact. energy: -0.487
local terms energy: -267.324910
where:
bonds (distance) C4'-P energy: -50.087
bonds (distance) P-C4' energy: -54.869
flat angles C4'-P-C4' energy: -68.107
flat angles P-C4'-P energy: -32.151
tors. eta vs tors. theta energy: -62.112
Dist. restrs. and SS energy: 5.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -896.726648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.726648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.498198 (E_RNA)
where:
Base-Base interactions energy: -631.195
where: short stacking energy: -245.438
Base-Backbone interact. energy: -1.016
local terms energy: -267.287284
where:
bonds (distance) C4'-P energy: -53.985
bonds (distance) P-C4' energy: -57.114
flat angles C4'-P-C4' energy: -59.233
flat angles P-C4'-P energy: -35.799
tors. eta vs tors. theta energy: -61.157
Dist. restrs. and SS energy: 2.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1249.780939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.780939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.473257 (E_RNA)
where:
Base-Base interactions energy: -881.344
where: short stacking energy: -372.714
Base-Backbone interact. energy: -0.635
local terms energy: -372.494744
where:
bonds (distance) C4'-P energy: -73.963
bonds (distance) P-C4' energy: -69.854
flat angles C4'-P-C4' energy: -76.820
flat angles P-C4'-P energy: -47.161
tors. eta vs tors. theta energy: -104.696
Dist. restrs. and SS energy: 4.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1232.528346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.528346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.856524 (E_RNA)
where:
Base-Base interactions energy: -865.922
where: short stacking energy: -350.244
Base-Backbone interact. energy: -0.577
local terms energy: -370.357431
where:
bonds (distance) C4'-P energy: -59.685
bonds (distance) P-C4' energy: -65.203
flat angles C4'-P-C4' energy: -81.542
flat angles P-C4'-P energy: -56.117
tors. eta vs tors. theta energy: -107.810
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: 3, replica: 10
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1153.382080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.382080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.511163 (E_RNA)
where:
Base-Base interactions energy: -824.469
where: short stacking energy: -341.068
Base-Backbone interact. energy: -1.937
local terms energy: -330.105185
where:
bonds (distance) C4'-P energy: -62.316
bonds (distance) P-C4' energy: -59.149
flat angles C4'-P-C4' energy: -74.665
flat angles P-C4'-P energy: -38.638
tors. eta vs tors. theta energy: -95.338
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: 4, replica: 4
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1132.968138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.968138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.987190 (E_RNA)
where:
Base-Base interactions energy: -789.602
where: short stacking energy: -332.616
Base-Backbone interact. energy: -0.435
local terms energy: -346.950578
where:
bonds (distance) C4'-P energy: -51.836
bonds (distance) P-C4' energy: -62.267
flat angles C4'-P-C4' energy: -82.685
flat angles P-C4'-P energy: -52.090
tors. eta vs tors. theta energy: -98.072
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: 5, replica: 6
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1109.352958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.352958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.329373 (E_RNA)
where:
Base-Base interactions energy: -771.544
where: short stacking energy: -319.648
Base-Backbone interact. energy: 2.956
local terms energy: -341.741333
where:
bonds (distance) C4'-P energy: -52.202
bonds (distance) P-C4' energy: -71.993
flat angles C4'-P-C4' energy: -71.692
flat angles P-C4'-P energy: -52.843
tors. eta vs tors. theta energy: -93.012
Dist. restrs. and SS energy: 0.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1059.584729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.584729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.508865 (E_RNA)
where:
Base-Base interactions energy: -730.806
where: short stacking energy: -309.389
Base-Backbone interact. energy: 0.307
local terms energy: -332.009961
where:
bonds (distance) C4'-P energy: -59.413
bonds (distance) P-C4' energy: -60.579
flat angles C4'-P-C4' energy: -77.970
flat angles P-C4'-P energy: -45.538
tors. eta vs tors. theta energy: -88.509
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: 7, replica: 7
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -983.068813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.068813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.600452 (E_RNA)
where:
Base-Base interactions energy: -672.157
where: short stacking energy: -268.631
Base-Backbone interact. energy: -3.326
local terms energy: -313.117530
where:
bonds (distance) C4'-P energy: -60.174
bonds (distance) P-C4' energy: -62.103
flat angles C4'-P-C4' energy: -70.418
flat angles P-C4'-P energy: -45.253
tors. eta vs tors. theta energy: -75.169
Dist. restrs. and SS energy: 5.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -981.024524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.024524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.404709 (E_RNA)
where:
Base-Base interactions energy: -681.346
where: short stacking energy: -270.928
Base-Backbone interact. energy: -1.279
local terms energy: -301.779872
where:
bonds (distance) C4'-P energy: -51.277
bonds (distance) P-C4' energy: -57.118
flat angles C4'-P-C4' energy: -74.924
flat angles P-C4'-P energy: -45.168
tors. eta vs tors. theta energy: -73.292
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: 9, replica: 3
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -886.935754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.935754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.398870 (E_RNA)
where:
Base-Base interactions energy: -622.765
where: short stacking energy: -246.142
Base-Backbone interact. energy: -1.317
local terms energy: -267.317374
where:
bonds (distance) C4'-P energy: -51.409
bonds (distance) P-C4' energy: -54.727
flat angles C4'-P-C4' energy: -62.142
flat angles P-C4'-P energy: -43.607
tors. eta vs tors. theta energy: -55.432
Dist. restrs. and SS energy: 4.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -912.470682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.470682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.759619 (E_RNA)
where:
Base-Base interactions energy: -640.292
where: short stacking energy: -245.207
Base-Backbone interact. energy: -1.804
local terms energy: -271.663921
where:
bonds (distance) C4'-P energy: -43.333
bonds (distance) P-C4' energy: -43.824
flat angles C4'-P-C4' energy: -71.159
flat angles P-C4'-P energy: -54.286
tors. eta vs tors. theta energy: -59.062
Dist. restrs. and SS energy: 1.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1271.169763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.169763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.143856 (E_RNA)
where:
Base-Base interactions energy: -898.194
where: short stacking energy: -379.966
Base-Backbone interact. energy: -0.489
local terms energy: -378.461267
where:
bonds (distance) C4'-P energy: -68.672
bonds (distance) P-C4' energy: -67.021
flat angles C4'-P-C4' energy: -72.876
flat angles P-C4'-P energy: -55.067
tors. eta vs tors. theta energy: -114.825
Dist. restrs. and SS energy: 5.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1221.289698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.289698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.633860 (E_RNA)
where:
Base-Base interactions energy: -848.438
where: short stacking energy: -357.911
Base-Backbone interact. energy: -0.997
local terms energy: -376.198582
where:
bonds (distance) C4'-P energy: -63.096
bonds (distance) P-C4' energy: -70.994
flat angles C4'-P-C4' energy: -82.347
flat angles P-C4'-P energy: -53.507
tors. eta vs tors. theta energy: -106.253
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: 3, replica: 10
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1179.906444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.906444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.262874 (E_RNA)
where:
Base-Base interactions energy: -800.534
where: short stacking energy: -343.238
Base-Backbone interact. energy: -1.113
local terms energy: -380.615566
where:
bonds (distance) C4'-P energy: -69.233
bonds (distance) P-C4' energy: -74.804
flat angles C4'-P-C4' energy: -77.215
flat angles P-C4'-P energy: -55.297
tors. eta vs tors. theta energy: -104.067
Dist. restrs. and SS energy: 2.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1112.799481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.799481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.531578 (E_RNA)
where:
Base-Base interactions energy: -767.617
where: short stacking energy: -307.766
Base-Backbone interact. energy: -0.152
local terms energy: -347.761657
where:
bonds (distance) C4'-P energy: -60.616
bonds (distance) P-C4' energy: -66.306
flat angles C4'-P-C4' energy: -74.815
flat angles P-C4'-P energy: -55.297
tors. eta vs tors. theta energy: -90.728
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: 6
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1063.722494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.722494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.528125 (E_RNA)
where:
Base-Base interactions energy: -749.951
where: short stacking energy: -311.986
Base-Backbone interact. energy: 6.319
local terms energy: -322.896063
where:
bonds (distance) C4'-P energy: -56.933
bonds (distance) P-C4' energy: -66.736
flat angles C4'-P-C4' energy: -64.676
flat angles P-C4'-P energy: -52.881
tors. eta vs tors. theta energy: -81.670
Dist. restrs. and SS energy: 2.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1003.658998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.658998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.034590 (E_RNA)
where:
Base-Base interactions energy: -698.115
where: short stacking energy: -284.505
Base-Backbone interact. energy: -1.966
local terms energy: -308.953464
where:
bonds (distance) C4'-P energy: -57.463
bonds (distance) P-C4' energy: -62.402
flat angles C4'-P-C4' energy: -66.761
flat angles P-C4'-P energy: -49.473
tors. eta vs tors. theta energy: -72.854
Dist. restrs. and SS energy: 5.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1014.344317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.344317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.332004 (E_RNA)
where:
Base-Base interactions energy: -714.804
where: short stacking energy: -292.561
Base-Backbone interact. energy: 2.519
local terms energy: -307.046741
where:
bonds (distance) C4'-P energy: -62.686
bonds (distance) P-C4' energy: -58.162
flat angles C4'-P-C4' energy: -64.326
flat angles P-C4'-P energy: -44.865
tors. eta vs tors. theta energy: -77.007
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: 8, replica: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -926.086144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.086144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.280891 (E_RNA)
where:
Base-Base interactions energy: -654.454
where: short stacking energy: -255.209
Base-Backbone interact. energy: -1.029
local terms energy: -272.797897
where:
bonds (distance) C4'-P energy: -54.009
bonds (distance) P-C4' energy: -59.843
flat angles C4'-P-C4' energy: -69.879
flat angles P-C4'-P energy: -33.990
tors. eta vs tors. theta energy: -55.077
Dist. restrs. and SS energy: 2.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -946.977961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.977961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.419595 (E_RNA)
where:
Base-Base interactions energy: -661.118
where: short stacking energy: -255.264
Base-Backbone interact. energy: -2.896
local terms energy: -284.405817
where:
bonds (distance) C4'-P energy: -51.906
bonds (distance) P-C4' energy: -65.267
flat angles C4'-P-C4' energy: -59.425
flat angles P-C4'-P energy: -45.957
tors. eta vs tors. theta energy: -61.851
Dist. restrs. and SS energy: 1.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -940.149638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.149638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.914031 (E_RNA)
where:
Base-Base interactions energy: -668.520
where: short stacking energy: -253.438
Base-Backbone interact. energy: 0.848
local terms energy: -276.241768
where:
bonds (distance) C4'-P energy: -57.618
bonds (distance) P-C4' energy: -57.494
flat angles C4'-P-C4' energy: -65.888
flat angles P-C4'-P energy: -40.675
tors. eta vs tors. theta energy: -54.567
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: 1, replica: 9
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1258.362347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.362347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.584678 (E_RNA)
where:
Base-Base interactions energy: -893.675
where: short stacking energy: -385.083
Base-Backbone interact. energy: -1.671
local terms energy: -371.239433
where:
bonds (distance) C4'-P energy: -65.015
bonds (distance) P-C4' energy: -66.323
flat angles C4'-P-C4' energy: -79.749
flat angles P-C4'-P energy: -47.024
tors. eta vs tors. theta energy: -113.128
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: 2, replica: 2
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1208.164674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.164674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.007616 (E_RNA)
where:
Base-Base interactions energy: -829.221
where: short stacking energy: -333.310
Base-Backbone interact. energy: -0.207
local terms energy: -383.579157
where:
bonds (distance) C4'-P energy: -69.495
bonds (distance) P-C4' energy: -71.437
flat angles C4'-P-C4' energy: -82.877
flat angles P-C4'-P energy: -55.005
tors. eta vs tors. theta energy: -104.765
Dist. restrs. and SS energy: 4.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1160.723353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.723353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.696111 (E_RNA)
where:
Base-Base interactions energy: -817.076
where: short stacking energy: -351.534
Base-Backbone interact. energy: -2.569
local terms energy: -344.051156
where:
bonds (distance) C4'-P energy: -67.037
bonds (distance) P-C4' energy: -59.248
flat angles C4'-P-C4' energy: -62.831
flat angles P-C4'-P energy: -50.174
tors. eta vs tors. theta energy: -104.761
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: 4, replica: 4
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1136.355558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.355558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.778260 (E_RNA)
where:
Base-Base interactions energy: -813.061
where: short stacking energy: -318.849
Base-Backbone interact. energy: 0.956
local terms energy: -327.673172
where:
bonds (distance) C4'-P energy: -64.331
bonds (distance) P-C4' energy: -54.265
flat angles C4'-P-C4' energy: -71.351
flat angles P-C4'-P energy: -45.415
tors. eta vs tors. theta energy: -92.311
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: 5, replica: 6
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1058.778728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.778728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.515505 (E_RNA)
where:
Base-Base interactions energy: -737.716
where: short stacking energy: -307.319
Base-Backbone interact. energy: -0.352
local terms energy: -324.447094
where:
bonds (distance) C4'-P energy: -66.944
bonds (distance) P-C4' energy: -56.517
flat angles C4'-P-C4' energy: -69.831
flat angles P-C4'-P energy: -40.917
tors. eta vs tors. theta energy: -90.238
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: 6, replica: 7
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1005.149149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.149149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.334463 (E_RNA)
where:
Base-Base interactions energy: -700.784
where: short stacking energy: -293.263
Base-Backbone interact. energy: -3.007
local terms energy: -306.542735
where:
bonds (distance) C4'-P energy: -51.578
bonds (distance) P-C4' energy: -56.805
flat angles C4'-P-C4' energy: -67.837
flat angles P-C4'-P energy: -49.682
tors. eta vs tors. theta energy: -80.641
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: 7, replica: 8
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -994.696713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.696713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.055963 (E_RNA)
where:
Base-Base interactions energy: -685.923
where: short stacking energy: -277.508
Base-Backbone interact. energy: -1.575
local terms energy: -312.558569
where:
bonds (distance) C4'-P energy: -61.862
bonds (distance) P-C4' energy: -62.210
flat angles C4'-P-C4' energy: -60.844
flat angles P-C4'-P energy: -48.647
tors. eta vs tors. theta energy: -78.996
Dist. restrs. and SS energy: 5.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -946.381734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.381734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.137394 (E_RNA)
where:
Base-Base interactions energy: -655.596
where: short stacking energy: -265.827
Base-Backbone interact. energy: -0.871
local terms energy: -290.670285
where:
bonds (distance) C4'-P energy: -40.369
bonds (distance) P-C4' energy: -58.795
flat angles C4'-P-C4' energy: -80.064
flat angles P-C4'-P energy: -39.486
tors. eta vs tors. theta energy: -71.956
Dist. restrs. and SS energy: 0.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -931.148551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.148551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.644838 (E_RNA)
where:
Base-Base interactions energy: -644.961
where: short stacking energy: -256.008
Base-Backbone interact. energy: -1.728
local terms energy: -286.955579
where:
bonds (distance) C4'-P energy: -57.541
bonds (distance) P-C4' energy: -56.972
flat angles C4'-P-C4' energy: -65.837
flat angles P-C4'-P energy: -48.125
tors. eta vs tors. theta energy: -58.480
Dist. restrs. and SS energy: 2.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -882.551512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.551512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.268370 (E_RNA)
where:
Base-Base interactions energy: -631.114
where: short stacking energy: -262.897
Base-Backbone interact. energy: 1.473
local terms energy: -256.627498
where:
bonds (distance) C4'-P energy: -33.945
bonds (distance) P-C4' energy: -65.838
flat angles C4'-P-C4' energy: -62.221
flat angles P-C4'-P energy: -38.126
tors. eta vs tors. theta energy: -56.499
Dist. restrs. and SS energy: 3.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1245.851408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.851408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.098100 (E_RNA)
where:
Base-Base interactions energy: -868.845
where: short stacking energy: -377.555
Base-Backbone interact. energy: -1.965
local terms energy: -380.288537
where:
bonds (distance) C4'-P energy: -72.173
bonds (distance) P-C4' energy: -65.364
flat angles C4'-P-C4' energy: -82.336
flat angles P-C4'-P energy: -64.186
tors. eta vs tors. theta energy: -96.229
Dist. restrs. and SS energy: 5.247 (S_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: 281
Temperature: 0.950000
Total energy: -1178.347153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.347153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.493474 (E_RNA)
where:
Base-Base interactions energy: -814.484
where: short stacking energy: -349.679
Base-Backbone interact. energy: 0.098
local terms energy: -368.107598
where:
bonds (distance) C4'-P energy: -71.456
bonds (distance) P-C4' energy: -78.336
flat angles C4'-P-C4' energy: -80.590
flat angles P-C4'-P energy: -48.093
tors. eta vs tors. theta energy: -89.632
Dist. restrs. and SS energy: 4.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1161.371640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.371640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.726125 (E_RNA)
where:
Base-Base interactions energy: -789.279
where: short stacking energy: -336.019
Base-Backbone interact. energy: -1.410
local terms energy: -375.037403
where:
bonds (distance) C4'-P energy: -73.257
bonds (distance) P-C4' energy: -74.222
flat angles C4'-P-C4' energy: -77.252
flat angles P-C4'-P energy: -48.617
tors. eta vs tors. theta energy: -101.690
Dist. restrs. and SS energy: 4.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1144.748500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.748500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.660156 (E_RNA)
where:
Base-Base interactions energy: -794.166
where: short stacking energy: -338.280
Base-Backbone interact. energy: -0.923
local terms energy: -350.570780
where:
bonds (distance) C4'-P energy: -63.228
bonds (distance) P-C4' energy: -70.154
flat angles C4'-P-C4' energy: -67.018
flat angles P-C4'-P energy: -54.740
tors. eta vs tors. theta energy: -95.432
Dist. restrs. and SS energy: 0.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1062.249794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.249794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.449760 (E_RNA)
where:
Base-Base interactions energy: -753.512
where: short stacking energy: -293.367
Base-Backbone interact. energy: -0.675
local terms energy: -311.262481
where:
bonds (distance) C4'-P energy: -62.505
bonds (distance) P-C4' energy: -61.712
flat angles C4'-P-C4' energy: -65.037
flat angles P-C4'-P energy: -46.478
tors. eta vs tors. theta energy: -75.530
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: 6, replica: 8
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1033.443154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.443154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.647040 (E_RNA)
where:
Base-Base interactions energy: -731.175
where: short stacking energy: -303.099
Base-Backbone interact. energy: -1.984
local terms energy: -303.488142
where:
bonds (distance) C4'-P energy: -56.180
bonds (distance) P-C4' energy: -46.047
flat angles C4'-P-C4' energy: -69.799
flat angles P-C4'-P energy: -44.599
tors. eta vs tors. theta energy: -86.863
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: 7, replica: 7
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -965.778914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.778914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.304000 (E_RNA)
where:
Base-Base interactions energy: -671.365
where: short stacking energy: -274.410
Base-Backbone interact. energy: -0.097
local terms energy: -296.842156
where:
bonds (distance) C4'-P energy: -53.394
bonds (distance) P-C4' energy: -56.194
flat angles C4'-P-C4' energy: -68.088
flat angles P-C4'-P energy: -41.734
tors. eta vs tors. theta energy: -77.432
Dist. restrs. and SS energy: 2.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -965.831368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.831368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.495763 (E_RNA)
where:
Base-Base interactions energy: -684.114
where: short stacking energy: -271.174
Base-Backbone interact. energy: -2.266
local terms energy: -285.115205
where:
bonds (distance) C4'-P energy: -64.312
bonds (distance) P-C4' energy: -60.092
flat angles C4'-P-C4' energy: -59.035
flat angles P-C4'-P energy: -39.891
tors. eta vs tors. theta energy: -61.785
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: 1
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -936.495421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.495421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.108685 (E_RNA)
where:
Base-Base interactions energy: -654.681
where: short stacking energy: -259.857
Base-Backbone interact. energy: -0.640
local terms energy: -287.787425
where:
bonds (distance) C4'-P energy: -52.018
bonds (distance) P-C4' energy: -75.716
flat angles C4'-P-C4' energy: -62.360
flat angles P-C4'-P energy: -34.622
tors. eta vs tors. theta energy: -63.071
Dist. restrs. and SS energy: 6.613 (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: 5
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -882.420892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.420892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.645350 (E_RNA)
where:
Base-Base interactions energy: -611.878
where: short stacking energy: -236.818
Base-Backbone interact. energy: 2.046
local terms energy: -273.813657
where:
bonds (distance) C4'-P energy: -49.460
bonds (distance) P-C4' energy: -57.212
flat angles C4'-P-C4' energy: -59.332
flat angles P-C4'-P energy: -41.465
tors. eta vs tors. theta energy: -66.345
Dist. restrs. and SS energy: 1.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1237.442350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.442350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.792203 (E_RNA)
where:
Base-Base interactions energy: -862.993
where: short stacking energy: -356.907
Base-Backbone interact. energy: -1.970
local terms energy: -379.829365
where:
bonds (distance) C4'-P energy: -75.327
bonds (distance) P-C4' energy: -75.313
flat angles C4'-P-C4' energy: -72.731
flat angles P-C4'-P energy: -55.277
tors. eta vs tors. theta energy: -101.182
Dist. restrs. and SS energy: 7.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1183.499443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.499443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.234311 (E_RNA)
where:
Base-Base interactions energy: -835.226
where: short stacking energy: -345.642
Base-Backbone interact. energy: -0.155
local terms energy: -350.853267
where:
bonds (distance) C4'-P energy: -60.168
bonds (distance) P-C4' energy: -75.773
flat angles C4'-P-C4' energy: -70.226
flat angles P-C4'-P energy: -49.821
tors. eta vs tors. theta energy: -94.865
Dist. restrs. and SS energy: 2.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1167.607541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.607541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.705610 (E_RNA)
where:
Base-Base interactions energy: -823.248
where: short stacking energy: -350.906
Base-Backbone interact. energy: -2.370
local terms energy: -348.087538
where:
bonds (distance) C4'-P energy: -55.371
bonds (distance) P-C4' energy: -72.502
flat angles C4'-P-C4' energy: -73.632
flat angles P-C4'-P energy: -47.337
tors. eta vs tors. theta energy: -99.246
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: 4, replica: 4
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1127.809345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.809345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.614629 (E_RNA)
where:
Base-Base interactions energy: -774.708
where: short stacking energy: -320.280
Base-Backbone interact. energy: 0.553
local terms energy: -354.459533
where:
bonds (distance) C4'-P energy: -67.758
bonds (distance) P-C4' energy: -78.679
flat angles C4'-P-C4' energy: -68.319
flat angles P-C4'-P energy: -44.399
tors. eta vs tors. theta energy: -95.305
Dist. restrs. and SS energy: 0.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1097.536539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.536539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.834597 (E_RNA)
where:
Base-Base interactions energy: -776.568
where: short stacking energy: -300.678
Base-Backbone interact. energy: -0.347
local terms energy: -323.919643
where:
bonds (distance) C4'-P energy: -58.845
bonds (distance) P-C4' energy: -64.231
flat angles C4'-P-C4' energy: -65.352
flat angles P-C4'-P energy: -52.429
tors. eta vs tors. theta energy: -83.062
Dist. restrs. and SS energy: 3.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1040.918037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.918037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.324111 (E_RNA)
where:
Base-Base interactions energy: -742.511
where: short stacking energy: -288.473
Base-Backbone interact. energy: -0.275
local terms energy: -302.538163
where:
bonds (distance) C4'-P energy: -60.812
bonds (distance) P-C4' energy: -52.181
flat angles C4'-P-C4' energy: -74.992
flat angles P-C4'-P energy: -35.796
tors. eta vs tors. theta energy: -78.757
Dist. restrs. and SS energy: 4.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -992.093825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.093825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.709051 (E_RNA)
where:
Base-Base interactions energy: -699.348
where: short stacking energy: -276.665
Base-Backbone interact. energy: 2.853
local terms energy: -298.213783
where:
bonds (distance) C4'-P energy: -60.944
bonds (distance) P-C4' energy: -61.590
flat angles C4'-P-C4' energy: -63.822
flat angles P-C4'-P energy: -44.231
tors. eta vs tors. theta energy: -67.626
Dist. restrs. and SS energy: 2.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -957.300076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.300076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.695056 (E_RNA)
where:
Base-Base interactions energy: -667.419
where: short stacking energy: -258.639
Base-Backbone interact. energy: -2.090
local terms energy: -290.185617
where:
bonds (distance) C4'-P energy: -64.619
bonds (distance) P-C4' energy: -62.526
flat angles C4'-P-C4' energy: -56.566
flat angles P-C4'-P energy: -42.506
tors. eta vs tors. theta energy: -63.968
Dist. restrs. and SS energy: 2.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -907.698653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.698653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.497853 (E_RNA)
where:
Base-Base interactions energy: -635.762
where: short stacking energy: -240.685
Base-Backbone interact. energy: -0.690
local terms energy: -276.045811
where:
bonds (distance) C4'-P energy: -52.530
bonds (distance) P-C4' energy: -58.322
flat angles C4'-P-C4' energy: -67.064
flat angles P-C4'-P energy: -48.620
tors. eta vs tors. theta energy: -49.510
Dist. restrs. and SS energy: 4.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -913.031668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.031668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.979624 (E_RNA)
where:
Base-Base interactions energy: -652.206
where: short stacking energy: -267.837
Base-Backbone interact. energy: 1.346
local terms energy: -267.119640
where:
bonds (distance) C4'-P energy: -54.031
bonds (distance) P-C4' energy: -59.066
flat angles C4'-P-C4' energy: -68.921
flat angles P-C4'-P energy: -26.390
tors. eta vs tors. theta energy: -58.712
Dist. restrs. and SS energy: 4.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1246.402251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.402251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.932058 (E_RNA)
where:
Base-Base interactions energy: -859.574
where: short stacking energy: -352.059
Base-Backbone interact. energy: -0.590
local terms energy: -390.767785
where:
bonds (distance) C4'-P energy: -74.958
bonds (distance) P-C4' energy: -75.332
flat angles C4'-P-C4' energy: -79.628
flat angles P-C4'-P energy: -56.261
tors. eta vs tors. theta energy: -104.590
Dist. restrs. and SS energy: 4.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1201.981063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.981063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.862176 (E_RNA)
where:
Base-Base interactions energy: -818.696
where: short stacking energy: -340.374
Base-Backbone interact. energy: 0.514
local terms energy: -387.680114
where:
bonds (distance) C4'-P energy: -71.166
bonds (distance) P-C4' energy: -77.076
flat angles C4'-P-C4' energy: -81.252
flat angles P-C4'-P energy: -56.290
tors. eta vs tors. theta energy: -101.897
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: 3, replica: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1156.298708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.298708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.425090 (E_RNA)
where:
Base-Base interactions energy: -800.335
where: short stacking energy: -338.621
Base-Backbone interact. energy: -0.698
local terms energy: -360.392303
where:
bonds (distance) C4'-P energy: -69.176
bonds (distance) P-C4' energy: -71.144
flat angles C4'-P-C4' energy: -66.892
flat angles P-C4'-P energy: -50.947
tors. eta vs tors. theta energy: -102.233
Dist. restrs. and SS energy: 5.126 (S_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: 283
Temperature: 1.050000
Total energy: -1126.548327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.548327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.748909 (E_RNA)
where:
Base-Base interactions energy: -793.535
where: short stacking energy: -324.061
Base-Backbone interact. energy: -1.874
local terms energy: -335.339317
where:
bonds (distance) C4'-P energy: -63.622
bonds (distance) P-C4' energy: -60.022
flat angles C4'-P-C4' energy: -68.994
flat angles P-C4'-P energy: -50.152
tors. eta vs tors. theta energy: -92.549
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: 5, replica: 4
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1110.009511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.009511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.024565 (E_RNA)
where:
Base-Base interactions energy: -797.247
where: short stacking energy: -320.479
Base-Backbone interact. energy: 0.948
local terms energy: -314.725587
where:
bonds (distance) C4'-P energy: -45.689
bonds (distance) P-C4' energy: -71.450
flat angles C4'-P-C4' energy: -67.875
flat angles P-C4'-P energy: -45.801
tors. eta vs tors. theta energy: -83.911
Dist. restrs. and SS energy: 1.015 (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: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1017.246525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.246525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.192511 (E_RNA)
where:
Base-Base interactions energy: -709.195
where: short stacking energy: -286.625
Base-Backbone interact. energy: -1.246
local terms energy: -311.751976
where:
bonds (distance) C4'-P energy: -57.913
bonds (distance) P-C4' energy: -65.331
flat angles C4'-P-C4' energy: -66.524
flat angles P-C4'-P energy: -47.195
tors. eta vs tors. theta energy: -74.789
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: 7, replica: 8
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1027.908781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.908781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.151144 (E_RNA)
where:
Base-Base interactions energy: -707.447
where: short stacking energy: -290.853
Base-Backbone interact. energy: -0.866
local terms energy: -322.837611
where:
bonds (distance) C4'-P energy: -65.690
bonds (distance) P-C4' energy: -64.666
flat angles C4'-P-C4' energy: -64.808
flat angles P-C4'-P energy: -47.509
tors. eta vs tors. theta energy: -80.165
Dist. restrs. and SS energy: 3.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -937.466984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.466984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.553815 (E_RNA)
where:
Base-Base interactions energy: -663.184
where: short stacking energy: -259.313
Base-Backbone interact. energy: -2.352
local terms energy: -277.017490
where:
bonds (distance) C4'-P energy: -54.319
bonds (distance) P-C4' energy: -73.272
flat angles C4'-P-C4' energy: -53.262
flat angles P-C4'-P energy: -43.808
tors. eta vs tors. theta energy: -52.356
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: 9, replica: 1
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -957.710039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.710039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.409198 (E_RNA)
where:
Base-Base interactions energy: -669.397
where: short stacking energy: -257.455
Base-Backbone interact. energy: 1.872
local terms energy: -293.884068
where:
bonds (distance) C4'-P energy: -58.872
bonds (distance) P-C4' energy: -54.045
flat angles C4'-P-C4' energy: -72.463
flat angles P-C4'-P energy: -41.213
tors. eta vs tors. theta energy: -67.290
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: 10, replica: 5
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -906.865585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.865585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.446316 (E_RNA)
where:
Base-Base interactions energy: -631.607
where: short stacking energy: -237.791
Base-Backbone interact. energy: 1.010
local terms energy: -281.849565
where:
bonds (distance) C4'-P energy: -53.176
bonds (distance) P-C4' energy: -70.915
flat angles C4'-P-C4' energy: -61.584
flat angles P-C4'-P energy: -34.568
tors. eta vs tors. theta energy: -61.606
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: 1, replica: 9
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1266.984951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.984951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.392349 (E_RNA)
where:
Base-Base interactions energy: -874.888
where: short stacking energy: -374.076
Base-Backbone interact. energy: -1.917
local terms energy: -394.587754
where:
bonds (distance) C4'-P energy: -69.367
bonds (distance) P-C4' energy: -72.597
flat angles C4'-P-C4' energy: -79.696
flat angles P-C4'-P energy: -59.806
tors. eta vs tors. theta energy: -113.122
Dist. restrs. and SS energy: 4.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1210.003028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.003028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.390874 (E_RNA)
where:
Base-Base interactions energy: -838.307
where: short stacking energy: -345.970
Base-Backbone interact. energy: -3.060
local terms energy: -373.024031
where:
bonds (distance) C4'-P energy: -69.854
bonds (distance) P-C4' energy: -68.432
flat angles C4'-P-C4' energy: -81.978
flat angles P-C4'-P energy: -52.249
tors. eta vs tors. theta energy: -100.511
Dist. restrs. and SS energy: 4.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1179.099786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.099786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.346064 (E_RNA)
where:
Base-Base interactions energy: -813.124
where: short stacking energy: -331.730
Base-Backbone interact. energy: -1.164
local terms energy: -369.057332
where:
bonds (distance) C4'-P energy: -66.250
bonds (distance) P-C4' energy: -72.686
flat angles C4'-P-C4' energy: -74.665
flat angles P-C4'-P energy: -55.544
tors. eta vs tors. theta energy: -99.913
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: 6
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1129.176788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.176788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.616385 (E_RNA)
where:
Base-Base interactions energy: -789.511
where: short stacking energy: -340.062
Base-Backbone interact. energy: 0.702
local terms energy: -344.808170
where:
bonds (distance) C4'-P energy: -58.632
bonds (distance) P-C4' energy: -67.881
flat angles C4'-P-C4' energy: -75.694
flat angles P-C4'-P energy: -44.532
tors. eta vs tors. theta energy: -98.069
Dist. restrs. and SS energy: 4.440 (S_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: 284
Temperature: 1.100000
Total energy: -1081.978830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.978830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.410336 (E_RNA)
where:
Base-Base interactions energy: -745.512
where: short stacking energy: -303.032
Base-Backbone interact. energy: -1.658
local terms energy: -336.239999
where:
bonds (distance) C4'-P energy: -59.872
bonds (distance) P-C4' energy: -69.001
flat angles C4'-P-C4' energy: -73.656
flat angles P-C4'-P energy: -52.132
tors. eta vs tors. theta energy: -81.579
Dist. restrs. and SS energy: 1.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1021.754140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.754140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.885488 (E_RNA)
where:
Base-Base interactions energy: -731.199
where: short stacking energy: -298.637
Base-Backbone interact. energy: 2.927
local terms energy: -307.612695
where:
bonds (distance) C4'-P energy: -59.204
bonds (distance) P-C4' energy: -57.145
flat angles C4'-P-C4' energy: -75.817
flat angles P-C4'-P energy: -41.888
tors. eta vs tors. theta energy: -73.558
Dist. restrs. and SS energy: 14.131 (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: 8
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1007.038017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.038017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.995991 (E_RNA)
where:
Base-Base interactions energy: -697.270
where: short stacking energy: -272.243
Base-Backbone interact. energy: -1.195
local terms energy: -309.530997
where:
bonds (distance) C4'-P energy: -62.113
bonds (distance) P-C4' energy: -53.173
flat angles C4'-P-C4' energy: -75.515
flat angles P-C4'-P energy: -43.580
tors. eta vs tors. theta energy: -75.150
Dist. restrs. and SS energy: 0.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -923.516425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.516425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.525177 (E_RNA)
where:
Base-Base interactions energy: -635.778
where: short stacking energy: -253.276
Base-Backbone interact. energy: -1.950
local terms energy: -289.796860
where:
bonds (distance) C4'-P energy: -53.020
bonds (distance) P-C4' energy: -62.883
flat angles C4'-P-C4' energy: -63.618
flat angles P-C4'-P energy: -47.186
tors. eta vs tors. theta energy: -63.091
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: 9, replica: 1
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -977.495011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.495011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.998524 (E_RNA)
where:
Base-Base interactions energy: -696.375
where: short stacking energy: -283.866
Base-Backbone interact. energy: -0.756
local terms energy: -283.868384
where:
bonds (distance) C4'-P energy: -45.830
bonds (distance) P-C4' energy: -56.393
flat angles C4'-P-C4' energy: -68.093
flat angles P-C4'-P energy: -45.417
tors. eta vs tors. theta energy: -68.136
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: 10, replica: 5
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -877.479646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.479646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.156750 (E_RNA)
where:
Base-Base interactions energy: -624.272
where: short stacking energy: -255.286
Base-Backbone interact. energy: -1.889
local terms energy: -256.994973
where:
bonds (distance) C4'-P energy: -56.395
bonds (distance) P-C4' energy: -48.969
flat angles C4'-P-C4' energy: -62.770
flat angles P-C4'-P energy: -30.330
tors. eta vs tors. theta energy: -58.530
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: 1, replica: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1287.155025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.155025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.176510 (E_RNA)
where:
Base-Base interactions energy: -898.309
where: short stacking energy: -390.197
Base-Backbone interact. energy: -4.593
local terms energy: -390.274757
where:
bonds (distance) C4'-P energy: -62.817
bonds (distance) P-C4' energy: -74.022
flat angles C4'-P-C4' energy: -81.940
flat angles P-C4'-P energy: -56.782
tors. eta vs tors. theta energy: -114.713
Dist. restrs. and SS energy: 6.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1249.620426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.620426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.835595 (E_RNA)
where:
Base-Base interactions energy: -883.229
where: short stacking energy: -368.552
Base-Backbone interact. energy: -1.753
local terms energy: -368.852887
where:
bonds (distance) C4'-P energy: -64.156
bonds (distance) P-C4' energy: -62.960
flat angles C4'-P-C4' energy: -82.474
flat angles P-C4'-P energy: -56.980
tors. eta vs tors. theta energy: -102.283
Dist. restrs. and SS energy: 4.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1157.906109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.906109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.058397 (E_RNA)
where:
Base-Base interactions energy: -820.355
where: short stacking energy: -352.673
Base-Backbone interact. energy: 0.436
local terms energy: -340.139818
where:
bonds (distance) C4'-P energy: -57.970
bonds (distance) P-C4' energy: -69.144
flat angles C4'-P-C4' energy: -71.903
flat angles P-C4'-P energy: -44.916
tors. eta vs tors. theta energy: -96.207
Dist. restrs. and SS energy: 2.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1119.269640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.269640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.433553 (E_RNA)
where:
Base-Base interactions energy: -793.834
where: short stacking energy: -319.944
Base-Backbone interact. energy: -1.957
local terms energy: -326.642622
where:
bonds (distance) C4'-P energy: -55.705
bonds (distance) P-C4' energy: -60.347
flat angles C4'-P-C4' energy: -75.096
flat angles P-C4'-P energy: -47.721
tors. eta vs tors. theta energy: -87.774
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: 4
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1081.094488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.094488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.312941 (E_RNA)
where:
Base-Base interactions energy: -768.995
where: short stacking energy: -304.487
Base-Backbone interact. energy: -2.332
local terms energy: -310.986195
where:
bonds (distance) C4'-P energy: -57.038
bonds (distance) P-C4' energy: -54.767
flat angles C4'-P-C4' energy: -69.157
flat angles P-C4'-P energy: -53.353
tors. eta vs tors. theta energy: -76.672
Dist. restrs. and SS energy: 1.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1008.463832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.463832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.237989 (E_RNA)
where:
Base-Base interactions energy: -711.902
where: short stacking energy: -286.084
Base-Backbone interact. energy: -0.329
local terms energy: -300.006780
where:
bonds (distance) C4'-P energy: -57.570
bonds (distance) P-C4' energy: -58.016
flat angles C4'-P-C4' energy: -69.808
flat angles P-C4'-P energy: -46.435
tors. eta vs tors. theta energy: -68.178
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: 7, replica: 8
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -998.252346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.252346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.135469 (E_RNA)
where:
Base-Base interactions energy: -699.012
where: short stacking energy: -275.258
Base-Backbone interact. energy: 0.944
local terms energy: -301.067177
where:
bonds (distance) C4'-P energy: -47.877
bonds (distance) P-C4' energy: -72.463
flat angles C4'-P-C4' energy: -62.896
flat angles P-C4'-P energy: -41.251
tors. eta vs tors. theta energy: -76.580
Dist. restrs. and SS energy: 0.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -946.260969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.260969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.467402 (E_RNA)
where:
Base-Base interactions energy: -646.546
where: short stacking energy: -280.920
Base-Backbone interact. energy: 1.125
local terms energy: -308.046741
where:
bonds (distance) C4'-P energy: -64.691
bonds (distance) P-C4' energy: -62.232
flat angles C4'-P-C4' energy: -58.446
flat angles P-C4'-P energy: -51.082
tors. eta vs tors. theta energy: -71.596
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: 9, replica: 7
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -922.204978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.204978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.289719 (E_RNA)
where:
Base-Base interactions energy: -663.948
where: short stacking energy: -267.150
Base-Backbone interact. energy: -0.968
local terms energy: -262.373723
where:
bonds (distance) C4'-P energy: -48.057
bonds (distance) P-C4' energy: -46.447
flat angles C4'-P-C4' energy: -55.375
flat angles P-C4'-P energy: -43.380
tors. eta vs tors. theta energy: -69.114
Dist. restrs. and SS energy: 5.085 (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: 5
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -902.457185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.457185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.295892 (E_RNA)
where:
Base-Base interactions energy: -652.217
where: short stacking energy: -261.108
Base-Backbone interact. energy: -2.226
local terms energy: -258.852612
where:
bonds (distance) C4'-P energy: -62.677
bonds (distance) P-C4' energy: -42.142
flat angles C4'-P-C4' energy: -56.693
flat angles P-C4'-P energy: -32.578
tors. eta vs tors. theta energy: -64.763
Dist. restrs. and SS energy: 10.839 (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: 10
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1258.430297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.430297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.018779 (E_RNA)
where:
Base-Base interactions energy: -873.900
where: short stacking energy: -357.085
Base-Backbone interact. energy: -2.663
local terms energy: -385.456490
where:
bonds (distance) C4'-P energy: -76.402
bonds (distance) P-C4' energy: -76.770
flat angles C4'-P-C4' energy: -81.000
flat angles P-C4'-P energy: -51.815
tors. eta vs tors. theta energy: -99.469
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: 2, replica: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1228.924513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.924513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.049827 (E_RNA)
where:
Base-Base interactions energy: -863.053
where: short stacking energy: -368.241
Base-Backbone interact. energy: 0.795
local terms energy: -371.790982
where:
bonds (distance) C4'-P energy: -69.435
bonds (distance) P-C4' energy: -60.857
flat angles C4'-P-C4' energy: -80.377
flat angles P-C4'-P energy: -49.118
tors. eta vs tors. theta energy: -112.003
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: 3, replica: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1172.316104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.316104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.782527 (E_RNA)
where:
Base-Base interactions energy: -833.515
where: short stacking energy: -349.706
Base-Backbone interact. energy: -0.290
local terms energy: -341.977729
where:
bonds (distance) C4'-P energy: -72.104
bonds (distance) P-C4' energy: -53.604
flat angles C4'-P-C4' energy: -68.502
flat angles P-C4'-P energy: -49.472
tors. eta vs tors. theta energy: -98.295
Dist. restrs. and SS energy: 3.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1128.377487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.377487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.401444 (E_RNA)
where:
Base-Base interactions energy: -776.784
where: short stacking energy: -301.530
Base-Backbone interact. energy: -4.323
local terms energy: -350.294684
where:
bonds (distance) C4'-P energy: -65.380
bonds (distance) P-C4' energy: -67.425
flat angles C4'-P-C4' energy: -75.793
flat angles P-C4'-P energy: -53.564
tors. eta vs tors. theta energy: -88.133
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: 4
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1107.910657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.910657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.542965 (E_RNA)
where:
Base-Base interactions energy: -775.696
where: short stacking energy: -314.106
Base-Backbone interact. energy: 0.833
local terms energy: -336.679451
where:
bonds (distance) C4'-P energy: -74.479
bonds (distance) P-C4' energy: -58.135
flat angles C4'-P-C4' energy: -66.407
flat angles P-C4'-P energy: -55.073
tors. eta vs tors. theta energy: -82.586
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: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -999.601446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.601446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.088399 (E_RNA)
where:
Base-Base interactions energy: -709.200
where: short stacking energy: -286.499
Base-Backbone interact. energy: -1.548
local terms energy: -294.340246
where:
bonds (distance) C4'-P energy: -60.102
bonds (distance) P-C4' energy: -61.893
flat angles C4'-P-C4' energy: -60.891
flat angles P-C4'-P energy: -39.522
tors. eta vs tors. theta energy: -71.933
Dist. restrs. and SS energy: 5.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -979.475315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.475315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.002629 (E_RNA)
where:
Base-Base interactions energy: -687.498
where: short stacking energy: -266.117
Base-Backbone interact. energy: -1.015
local terms energy: -297.489930
where:
bonds (distance) C4'-P energy: -68.240
bonds (distance) P-C4' energy: -67.033
flat angles C4'-P-C4' energy: -56.199
flat angles P-C4'-P energy: -41.732
tors. eta vs tors. theta energy: -64.286
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: 8, replica: 1
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -972.822728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.822728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.319174 (E_RNA)
where:
Base-Base interactions energy: -675.930
where: short stacking energy: -279.648
Base-Backbone interact. energy: -1.491
local terms energy: -298.897939
where:
bonds (distance) C4'-P energy: -53.896
bonds (distance) P-C4' energy: -54.884
flat angles C4'-P-C4' energy: -74.817
flat angles P-C4'-P energy: -40.073
tors. eta vs tors. theta energy: -75.229
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: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -924.664912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.664912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.071778 (E_RNA)
where:
Base-Base interactions energy: -653.809
where: short stacking energy: -272.047
Base-Backbone interact. energy: 2.184
local terms energy: -279.447262
where:
bonds (distance) C4'-P energy: -51.340
bonds (distance) P-C4' energy: -55.522
flat angles C4'-P-C4' energy: -61.379
flat angles P-C4'-P energy: -43.381
tors. eta vs tors. theta energy: -67.825
Dist. restrs. and SS energy: 6.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -879.146261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.146261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.432267 (E_RNA)
where:
Base-Base interactions energy: -623.438
where: short stacking energy: -245.004
Base-Backbone interact. energy: 2.188
local terms energy: -260.182523
where:
bonds (distance) C4'-P energy: -50.503
bonds (distance) P-C4' energy: -49.511
flat angles C4'-P-C4' energy: -58.151
flat angles P-C4'-P energy: -39.177
tors. eta vs tors. theta energy: -62.841
Dist. restrs. and SS energy: 2.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1275.202901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.202901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.198126 (E_RNA)
where:
Base-Base interactions energy: -887.687
where: short stacking energy: -378.744
Base-Backbone interact. energy: -2.468
local terms energy: -389.043308
where:
bonds (distance) C4'-P energy: -66.043
bonds (distance) P-C4' energy: -76.530
flat angles C4'-P-C4' energy: -84.110
flat angles P-C4'-P energy: -53.454
tors. eta vs tors. theta energy: -108.908
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: 2, replica: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1210.847158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.847158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.647483 (E_RNA)
where:
Base-Base interactions energy: -833.081
where: short stacking energy: -354.416
Base-Backbone interact. energy: 1.663
local terms energy: -385.228723
where:
bonds (distance) C4'-P energy: -67.642
bonds (distance) P-C4' energy: -80.191
flat angles C4'-P-C4' energy: -77.662
flat angles P-C4'-P energy: -51.647
tors. eta vs tors. theta energy: -108.087
Dist. restrs. and SS energy: 5.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1189.565441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.565441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.535525 (E_RNA)
where:
Base-Base interactions energy: -826.047
where: short stacking energy: -337.905
Base-Backbone interact. energy: -1.714
local terms energy: -364.775053
where:
bonds (distance) C4'-P energy: -57.262
bonds (distance) P-C4' energy: -72.003
flat angles C4'-P-C4' energy: -77.191
flat angles P-C4'-P energy: -58.608
tors. eta vs tors. theta energy: -99.712
Dist. restrs. and SS energy: 2.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1134.751801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.751801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.149047 (E_RNA)
where:
Base-Base interactions energy: -796.611
where: short stacking energy: -310.174
Base-Backbone interact. energy: 1.001
local terms energy: -339.538482
where:
bonds (distance) C4'-P energy: -61.860
bonds (distance) P-C4' energy: -57.143
flat angles C4'-P-C4' energy: -79.997
flat angles P-C4'-P energy: -56.858
tors. eta vs tors. theta energy: -83.681
Dist. restrs. and SS energy: 0.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1113.743787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.743787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.343604 (E_RNA)
where:
Base-Base interactions energy: -794.043
where: short stacking energy: -332.382
Base-Backbone interact. energy: -0.190
local terms energy: -322.110601
where:
bonds (distance) C4'-P energy: -57.671
bonds (distance) P-C4' energy: -52.233
flat angles C4'-P-C4' energy: -68.922
flat angles P-C4'-P energy: -48.532
tors. eta vs tors. theta energy: -94.753
Dist. restrs. and SS energy: 2.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1026.771561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.771561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.720657 (E_RNA)
where:
Base-Base interactions energy: -709.704
where: short stacking energy: -276.649
Base-Backbone interact. energy: -2.433
local terms energy: -317.583509
where:
bonds (distance) C4'-P energy: -63.479
bonds (distance) P-C4' energy: -66.511
flat angles C4'-P-C4' energy: -75.406
flat angles P-C4'-P energy: -32.527
tors. eta vs tors. theta energy: -79.661
Dist. restrs. and SS energy: 2.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -962.032798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.032798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.630094 (E_RNA)
where:
Base-Base interactions energy: -682.017
where: short stacking energy: -271.037
Base-Backbone interact. energy: -1.180
local terms energy: -282.433359
where:
bonds (distance) C4'-P energy: -48.890
bonds (distance) P-C4' energy: -57.190
flat angles C4'-P-C4' energy: -63.080
flat angles P-C4'-P energy: -42.288
tors. eta vs tors. theta energy: -70.985
Dist. restrs. and SS energy: 3.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -952.479608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.479608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.469248 (E_RNA)
where:
Base-Base interactions energy: -671.652
where: short stacking energy: -270.155
Base-Backbone interact. energy: 0.921
local terms energy: -284.738260
where:
bonds (distance) C4'-P energy: -55.491
bonds (distance) P-C4' energy: -63.315
flat angles C4'-P-C4' energy: -65.563
flat angles P-C4'-P energy: -29.855
tors. eta vs tors. theta energy: -70.514
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: 9, replica: 1
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -932.792070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.792070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.568466 (E_RNA)
where:
Base-Base interactions energy: -657.229
where: short stacking energy: -246.585
Base-Backbone interact. energy: -1.230
local terms energy: -276.108750
where:
bonds (distance) C4'-P energy: -64.030
bonds (distance) P-C4' energy: -49.586
flat angles C4'-P-C4' energy: -61.867
flat angles P-C4'-P energy: -39.570
tors. eta vs tors. theta energy: -61.056
Dist. restrs. and SS energy: 1.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -886.841139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.841139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.044616 (E_RNA)
where:
Base-Base interactions energy: -605.760
where: short stacking energy: -243.587
Base-Backbone interact. energy: -1.060
local terms energy: -288.224163
where:
bonds (distance) C4'-P energy: -63.950
bonds (distance) P-C4' energy: -64.907
flat angles C4'-P-C4' energy: -60.063
flat angles P-C4'-P energy: -42.132
tors. eta vs tors. theta energy: -57.171
Dist. restrs. and SS energy: 8.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1257.554640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.554640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.908385 (E_RNA)
where:
Base-Base interactions energy: -881.045
where: short stacking energy: -368.804
Base-Backbone interact. energy: -1.566
local terms energy: -378.297507
where:
bonds (distance) C4'-P energy: -65.592
bonds (distance) P-C4' energy: -74.331
flat angles C4'-P-C4' energy: -82.388
flat angles P-C4'-P energy: -50.076
tors. eta vs tors. theta energy: -105.911
Dist. restrs. and SS energy: 3.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1217.140827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.140827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.650040 (E_RNA)
where:
Base-Base interactions energy: -856.073
where: short stacking energy: -350.622
Base-Backbone interact. energy: -0.204
local terms energy: -366.372739
where:
bonds (distance) C4'-P energy: -70.686
bonds (distance) P-C4' energy: -59.428
flat angles C4'-P-C4' energy: -78.550
flat angles P-C4'-P energy: -57.811
tors. eta vs tors. theta energy: -99.897
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: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1198.276431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.276431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.073835 (E_RNA)
where:
Base-Base interactions energy: -835.525
where: short stacking energy: -353.265
Base-Backbone interact. energy: -0.674
local terms energy: -364.875121
where:
bonds (distance) C4'-P energy: -60.065
bonds (distance) P-C4' energy: -67.115
flat angles C4'-P-C4' energy: -77.621
flat angles P-C4'-P energy: -60.152
tors. eta vs tors. theta energy: -99.921
Dist. restrs. and SS energy: 2.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1140.951149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.951149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.615347 (E_RNA)
where:
Base-Base interactions energy: -792.329
where: short stacking energy: -329.264
Base-Backbone interact. energy: -1.645
local terms energy: -347.641777
where:
bonds (distance) C4'-P energy: -64.903
bonds (distance) P-C4' energy: -67.160
flat angles C4'-P-C4' energy: -73.644
flat angles P-C4'-P energy: -55.607
tors. eta vs tors. theta energy: -86.328
Dist. restrs. and SS energy: 0.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1084.428590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.428590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.162606 (E_RNA)
where:
Base-Base interactions energy: -748.798
where: short stacking energy: -295.438
Base-Backbone interact. energy: -2.427
local terms energy: -337.937402
where:
bonds (distance) C4'-P energy: -69.247
bonds (distance) P-C4' energy: -72.393
flat angles C4'-P-C4' energy: -62.207
flat angles P-C4'-P energy: -49.618
tors. eta vs tors. theta energy: -84.473
Dist. restrs. and SS energy: 4.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1061.488062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.488062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.140952 (E_RNA)
where:
Base-Base interactions energy: -735.439
where: short stacking energy: -298.244
Base-Backbone interact. energy: -3.039
local terms energy: -327.662675
where:
bonds (distance) C4'-P energy: -54.437
bonds (distance) P-C4' energy: -65.905
flat angles C4'-P-C4' energy: -80.552
flat angles P-C4'-P energy: -45.973
tors. eta vs tors. theta energy: -80.796
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: 7, replica: 7
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -948.579566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.579566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.199785 (E_RNA)
where:
Base-Base interactions energy: -667.010
where: short stacking energy: -270.431
Base-Backbone interact. energy: -3.360
local terms energy: -278.829837
where:
bonds (distance) C4'-P energy: -60.156
bonds (distance) P-C4' energy: -65.048
flat angles C4'-P-C4' energy: -59.708
flat angles P-C4'-P energy: -32.737
tors. eta vs tors. theta energy: -61.182
Dist. restrs. and SS energy: 0.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -945.697458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.697458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.698270 (E_RNA)
where:
Base-Base interactions energy: -666.043
where: short stacking energy: -258.353
Base-Backbone interact. energy: -2.040
local terms energy: -282.614619
where:
bonds (distance) C4'-P energy: -68.533
bonds (distance) P-C4' energy: -61.326
flat angles C4'-P-C4' energy: -54.207
flat angles P-C4'-P energy: -37.745
tors. eta vs tors. theta energy: -60.803
Dist. restrs. and SS energy: 5.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -931.825631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.825631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.933316 (E_RNA)
where:
Base-Base interactions energy: -682.100
where: short stacking energy: -265.750
Base-Backbone interact. energy: -2.715
local terms energy: -256.118478
where:
bonds (distance) C4'-P energy: -52.078
bonds (distance) P-C4' energy: -47.686
flat angles C4'-P-C4' energy: -56.479
flat angles P-C4'-P energy: -29.561
tors. eta vs tors. theta energy: -70.315
Dist. restrs. and SS energy: 9.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -898.019611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.019611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.386133 (E_RNA)
where:
Base-Base interactions energy: -611.219
where: short stacking energy: -237.021
Base-Backbone interact. energy: -0.021
local terms energy: -293.146008
where:
bonds (distance) C4'-P energy: -64.754
bonds (distance) P-C4' energy: -70.461
flat angles C4'-P-C4' energy: -63.284
flat angles P-C4'-P energy: -35.965
tors. eta vs tors. theta energy: -58.682
Dist. restrs. and SS energy: 6.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1260.885043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.885043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.312840 (E_RNA)
where:
Base-Base interactions energy: -884.537
where: short stacking energy: -367.471
Base-Backbone interact. energy: 2.703
local terms energy: -383.478805
where:
bonds (distance) C4'-P energy: -72.632
bonds (distance) P-C4' energy: -66.709
flat angles C4'-P-C4' energy: -74.770
flat angles P-C4'-P energy: -60.295
tors. eta vs tors. theta energy: -109.072
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: 2, replica: 9
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1213.548475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.548475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.033082 (E_RNA)
where:
Base-Base interactions energy: -847.753
where: short stacking energy: -367.678
Base-Backbone interact. energy: -3.975
local terms energy: -368.305002
where:
bonds (distance) C4'-P energy: -61.993
bonds (distance) P-C4' energy: -75.416
flat angles C4'-P-C4' energy: -79.012
flat angles P-C4'-P energy: -44.373
tors. eta vs tors. theta energy: -107.511
Dist. restrs. and SS energy: 6.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1174.149841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.149841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.794539 (E_RNA)
where:
Base-Base interactions energy: -820.163
where: short stacking energy: -328.799
Base-Backbone interact. energy: 0.842
local terms energy: -359.472929
where:
bonds (distance) C4'-P energy: -76.255
bonds (distance) P-C4' energy: -75.543
flat angles C4'-P-C4' energy: -71.162
flat angles P-C4'-P energy: -51.236
tors. eta vs tors. theta energy: -85.277
Dist. restrs. and SS energy: 4.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1170.628831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.628831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.597077 (E_RNA)
where:
Base-Base interactions energy: -822.501
where: short stacking energy: -347.396
Base-Backbone interact. energy: -2.346
local terms energy: -346.749688
where:
bonds (distance) C4'-P energy: -57.179
bonds (distance) P-C4' energy: -69.104
flat angles C4'-P-C4' energy: -76.975
flat angles P-C4'-P energy: -42.159
tors. eta vs tors. theta energy: -101.333
Dist. restrs. and SS energy: 0.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1069.430419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.430419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.453606 (E_RNA)
where:
Base-Base interactions energy: -734.542
where: short stacking energy: -296.443
Base-Backbone interact. energy: -3.039
local terms energy: -335.873012
where:
bonds (distance) C4'-P energy: -70.982
bonds (distance) P-C4' energy: -65.281
flat angles C4'-P-C4' energy: -72.815
flat angles P-C4'-P energy: -45.753
tors. eta vs tors. theta energy: -81.042
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: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1073.594517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.594517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.557322 (E_RNA)
where:
Base-Base interactions energy: -735.189
where: short stacking energy: -318.144
Base-Backbone interact. energy: -0.858
local terms energy: -341.510044
where:
bonds (distance) C4'-P energy: -62.882
bonds (distance) P-C4' energy: -71.325
flat angles C4'-P-C4' energy: -72.369
flat angles P-C4'-P energy: -44.861
tors. eta vs tors. theta energy: -90.073
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: 7, replica: 7
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -980.751004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.751004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.031487 (E_RNA)
where:
Base-Base interactions energy: -683.724
where: short stacking energy: -282.397
Base-Backbone interact. energy: -1.105
local terms energy: -299.201833
where:
bonds (distance) C4'-P energy: -65.964
bonds (distance) P-C4' energy: -55.960
flat angles C4'-P-C4' energy: -64.064
flat angles P-C4'-P energy: -32.065
tors. eta vs tors. theta energy: -81.149
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: 8, replica: 3
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -937.655189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.655189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.694841 (E_RNA)
where:
Base-Base interactions energy: -644.347
where: short stacking energy: -261.917
Base-Backbone interact. energy: -0.901
local terms energy: -298.446241
where:
bonds (distance) C4'-P energy: -58.108
bonds (distance) P-C4' energy: -65.859
flat angles C4'-P-C4' energy: -59.357
flat angles P-C4'-P energy: -46.109
tors. eta vs tors. theta energy: -69.013
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: 9, replica: 1
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -915.963027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.963027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.309690 (E_RNA)
where:
Base-Base interactions energy: -642.070
where: short stacking energy: -243.923
Base-Backbone interact. energy: -1.125
local terms energy: -275.114205
where:
bonds (distance) C4'-P energy: -58.576
bonds (distance) P-C4' energy: -63.160
flat angles C4'-P-C4' energy: -63.733
flat angles P-C4'-P energy: -29.520
tors. eta vs tors. theta energy: -60.126
Dist. restrs. and SS energy: 2.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -875.917752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.917752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.828386 (E_RNA)
where:
Base-Base interactions energy: -607.712
where: short stacking energy: -234.836
Base-Backbone interact. energy: 2.507
local terms energy: -275.623520
where:
bonds (distance) C4'-P energy: -28.283
bonds (distance) P-C4' energy: -66.346
flat angles C4'-P-C4' energy: -74.155
flat angles P-C4'-P energy: -46.105
tors. eta vs tors. theta energy: -60.734
Dist. restrs. and SS energy: 4.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1256.649488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.649488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.767269 (E_RNA)
where:
Base-Base interactions energy: -885.338
where: short stacking energy: -356.923
Base-Backbone interact. energy: -0.969
local terms energy: -373.460067
where:
bonds (distance) C4'-P energy: -62.938
bonds (distance) P-C4' energy: -67.439
flat angles C4'-P-C4' energy: -77.949
flat angles P-C4'-P energy: -59.420
tors. eta vs tors. theta energy: -105.714
Dist. restrs. and SS energy: 3.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1220.388325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.388325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.591336 (E_RNA)
where:
Base-Base interactions energy: -852.134
where: short stacking energy: -344.731
Base-Backbone interact. energy: 0.371
local terms energy: -373.828445
where:
bonds (distance) C4'-P energy: -67.790
bonds (distance) P-C4' energy: -67.901
flat angles C4'-P-C4' energy: -79.686
flat angles P-C4'-P energy: -51.718
tors. eta vs tors. theta energy: -106.733
Dist. restrs. and SS energy: 5.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1185.322714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.322714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.360099 (E_RNA)
where:
Base-Base interactions energy: -825.706
where: short stacking energy: -332.948
Base-Backbone interact. energy: -0.742
local terms energy: -362.912392
where:
bonds (distance) C4'-P energy: -62.794
bonds (distance) P-C4' energy: -77.234
flat angles C4'-P-C4' energy: -81.230
flat angles P-C4'-P energy: -46.403
tors. eta vs tors. theta energy: -95.251
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: 4, replica: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1127.314207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.314207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.389655 (E_RNA)
where:
Base-Base interactions energy: -767.147
where: short stacking energy: -313.507
Base-Backbone interact. energy: -0.530
local terms energy: -360.712228
where:
bonds (distance) C4'-P energy: -73.413
bonds (distance) P-C4' energy: -70.686
flat angles C4'-P-C4' energy: -77.020
flat angles P-C4'-P energy: -46.669
tors. eta vs tors. theta energy: -92.925
Dist. restrs. and SS energy: 1.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1074.528626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.528626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.427308 (E_RNA)
where:
Base-Base interactions energy: -748.962
where: short stacking energy: -289.630
Base-Backbone interact. energy: 1.982
local terms energy: -330.447188
where:
bonds (distance) C4'-P energy: -64.078
bonds (distance) P-C4' energy: -68.255
flat angles C4'-P-C4' energy: -68.826
flat angles P-C4'-P energy: -53.913
tors. eta vs tors. theta energy: -75.376
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: 6, replica: 8
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1037.397953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.397953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.780363 (E_RNA)
where:
Base-Base interactions energy: -716.221
where: short stacking energy: -292.638
Base-Backbone interact. energy: -0.386
local terms energy: -325.172900
where:
bonds (distance) C4'-P energy: -58.992
bonds (distance) P-C4' energy: -65.213
flat angles C4'-P-C4' energy: -77.155
flat angles P-C4'-P energy: -42.474
tors. eta vs tors. theta energy: -81.338
Dist. restrs. and SS energy: 4.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -967.631712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.631712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.335672 (E_RNA)
where:
Base-Base interactions energy: -670.519
where: short stacking energy: -281.538
Base-Backbone interact. energy: -1.414
local terms energy: -297.403185
where:
bonds (distance) C4'-P energy: -45.506
bonds (distance) P-C4' energy: -68.954
flat angles C4'-P-C4' energy: -65.853
flat angles P-C4'-P energy: -51.978
tors. eta vs tors. theta energy: -65.111
Dist. restrs. and SS energy: 1.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -918.807018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.807018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.108861 (E_RNA)
where:
Base-Base interactions energy: -642.194
where: short stacking energy: -254.629
Base-Backbone interact. energy: 1.118
local terms energy: -285.033678
where:
bonds (distance) C4'-P energy: -54.419
bonds (distance) P-C4' energy: -60.927
flat angles C4'-P-C4' energy: -67.180
flat angles P-C4'-P energy: -46.842
tors. eta vs tors. theta energy: -55.666
Dist. restrs. and SS energy: 7.302 (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: 1
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -937.416348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.416348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.212697 (E_RNA)
where:
Base-Base interactions energy: -658.108
where: short stacking energy: -257.471
Base-Backbone interact. energy: -0.796
local terms energy: -283.309133
where:
bonds (distance) C4'-P energy: -57.959
bonds (distance) P-C4' energy: -51.139
flat angles C4'-P-C4' energy: -65.510
flat angles P-C4'-P energy: -44.938
tors. eta vs tors. theta energy: -63.762
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: 10, replica: 5
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -867.426365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.426365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.293412 (E_RNA)
where:
Base-Base interactions energy: -626.057
where: short stacking energy: -251.399
Base-Backbone interact. energy: -1.932
local terms energy: -242.304851
where:
bonds (distance) C4'-P energy: -42.609
bonds (distance) P-C4' energy: -47.379
flat angles C4'-P-C4' energy: -60.980
flat angles P-C4'-P energy: -30.615
tors. eta vs tors. theta energy: -60.722
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: 1, replica: 10
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1225.333993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.333993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.628765 (E_RNA)
where:
Base-Base interactions energy: -854.292
where: short stacking energy: -354.581
Base-Backbone interact. energy: 0.896
local terms energy: -376.232332
where:
bonds (distance) C4'-P energy: -67.037
bonds (distance) P-C4' energy: -73.305
flat angles C4'-P-C4' energy: -81.538
flat angles P-C4'-P energy: -51.203
tors. eta vs tors. theta energy: -103.149
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: 2, replica: 9
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1208.381046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.381046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.359704 (E_RNA)
where:
Base-Base interactions energy: -855.208
where: short stacking energy: -333.998
Base-Backbone interact. energy: -3.951
local terms energy: -355.200766
where:
bonds (distance) C4'-P energy: -65.683
bonds (distance) P-C4' energy: -58.354
flat angles C4'-P-C4' energy: -73.088
flat angles P-C4'-P energy: -51.627
tors. eta vs tors. theta energy: -106.448
Dist. restrs. and SS energy: 5.979 (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: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1182.010122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.010122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.880879 (E_RNA)
where:
Base-Base interactions energy: -825.638
where: short stacking energy: -344.702
Base-Backbone interact. energy: 1.535
local terms energy: -361.777856
where:
bonds (distance) C4'-P energy: -67.129
bonds (distance) P-C4' energy: -74.244
flat angles C4'-P-C4' energy: -79.112
flat angles P-C4'-P energy: -46.612
tors. eta vs tors. theta energy: -94.681
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: 6
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1119.286524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.286524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.295515 (E_RNA)
where:
Base-Base interactions energy: -785.520
where: short stacking energy: -337.336
Base-Backbone interact. energy: -2.466
local terms energy: -334.309481
where:
bonds (distance) C4'-P energy: -57.807
bonds (distance) P-C4' energy: -66.461
flat angles C4'-P-C4' energy: -67.460
flat angles P-C4'-P energy: -50.781
tors. eta vs tors. theta energy: -91.800
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: 5, replica: 4
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1094.002970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.002970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.277337 (E_RNA)
where:
Base-Base interactions energy: -740.261
where: short stacking energy: -304.415
Base-Backbone interact. energy: 2.329
local terms energy: -357.344891
where:
bonds (distance) C4'-P energy: -68.471
bonds (distance) P-C4' energy: -75.121
flat angles C4'-P-C4' energy: -74.549
flat angles P-C4'-P energy: -54.549
tors. eta vs tors. theta energy: -84.655
Dist. restrs. and SS energy: 1.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -995.815483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.815483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.174259 (E_RNA)
where:
Base-Base interactions energy: -683.451
where: short stacking energy: -284.016
Base-Backbone interact. energy: -1.506
local terms energy: -312.216789
where:
bonds (distance) C4'-P energy: -65.167
bonds (distance) P-C4' energy: -60.995
flat angles C4'-P-C4' energy: -63.052
flat angles P-C4'-P energy: -47.645
tors. eta vs tors. theta energy: -75.357
Dist. restrs. and SS energy: 1.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1008.833082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.833082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.435687 (E_RNA)
where:
Base-Base interactions energy: -703.697
where: short stacking energy: -282.708
Base-Backbone interact. energy: -1.696
local terms energy: -308.043074
where:
bonds (distance) C4'-P energy: -59.095
bonds (distance) P-C4' energy: -61.969
flat angles C4'-P-C4' energy: -68.177
flat angles P-C4'-P energy: -38.395
tors. eta vs tors. theta energy: -80.407
Dist. restrs. and SS energy: 4.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -973.672398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.672398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.197969 (E_RNA)
where:
Base-Base interactions energy: -690.752
where: short stacking energy: -273.037
Base-Backbone interact. energy: -1.337
local terms energy: -285.109418
where:
bonds (distance) C4'-P energy: -56.724
bonds (distance) P-C4' energy: -67.880
flat angles C4'-P-C4' energy: -58.956
flat angles P-C4'-P energy: -33.862
tors. eta vs tors. theta energy: -67.688
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: 1
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -933.092825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.092825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.587902 (E_RNA)
where:
Base-Base interactions energy: -650.566
where: short stacking energy: -251.179
Base-Backbone interact. energy: -1.159
local terms energy: -284.862876
where:
bonds (distance) C4'-P energy: -52.330
bonds (distance) P-C4' energy: -73.975
flat angles C4'-P-C4' energy: -64.039
flat angles P-C4'-P energy: -34.628
tors. eta vs tors. theta energy: -59.890
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: 10, replica: 5
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -851.347969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.347969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.786582 (E_RNA)
where:
Base-Base interactions energy: -597.284
where: short stacking energy: -243.229
Base-Backbone interact. energy: -1.379
local terms energy: -255.123826
where:
bonds (distance) C4'-P energy: -59.408
bonds (distance) P-C4' energy: -61.320
flat angles C4'-P-C4' energy: -56.388
flat angles P-C4'-P energy: -26.110
tors. eta vs tors. theta energy: -51.898
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: 1, replica: 10
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1243.875747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.875747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.650531 (E_RNA)
where:
Base-Base interactions energy: -880.253
where: short stacking energy: -358.389
Base-Backbone interact. energy: -1.384
local terms energy: -367.012758
where:
bonds (distance) C4'-P energy: -61.357
bonds (distance) P-C4' energy: -70.191
flat angles C4'-P-C4' energy: -77.952
flat angles P-C4'-P energy: -50.838
tors. eta vs tors. theta energy: -106.675
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: 2, replica: 9
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1205.631808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.631808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.301057 (E_RNA)
where:
Base-Base interactions energy: -835.465
where: short stacking energy: -343.642
Base-Backbone interact. energy: -3.721
local terms energy: -371.114623
where:
bonds (distance) C4'-P energy: -61.696
bonds (distance) P-C4' energy: -69.303
flat angles C4'-P-C4' energy: -85.608
flat angles P-C4'-P energy: -54.558
tors. eta vs tors. theta energy: -99.951
Dist. restrs. and SS energy: 4.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1175.701661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.701661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.380977 (E_RNA)
where:
Base-Base interactions energy: -815.733
where: short stacking energy: -319.622
Base-Backbone interact. energy: -0.607
local terms energy: -363.040533
where:
bonds (distance) C4'-P energy: -61.699
bonds (distance) P-C4' energy: -73.205
flat angles C4'-P-C4' energy: -85.463
flat angles P-C4'-P energy: -55.613
tors. eta vs tors. theta energy: -87.060
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: 4, replica: 6
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1105.784482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.784482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.221725 (E_RNA)
where:
Base-Base interactions energy: -796.658
where: short stacking energy: -327.964
Base-Backbone interact. energy: 0.935
local terms energy: -313.498714
where:
bonds (distance) C4'-P energy: -50.272
bonds (distance) P-C4' energy: -56.382
flat angles C4'-P-C4' energy: -71.365
flat angles P-C4'-P energy: -41.123
tors. eta vs tors. theta energy: -94.357
Dist. restrs. and SS energy: 3.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1118.061242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.061242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.716027 (E_RNA)
where:
Base-Base interactions energy: -758.700
where: short stacking energy: -309.982
Base-Backbone interact. energy: -1.893
local terms energy: -358.123400
where:
bonds (distance) C4'-P energy: -70.704
bonds (distance) P-C4' energy: -72.485
flat angles C4'-P-C4' energy: -74.280
flat angles P-C4'-P energy: -44.805
tors. eta vs tors. theta energy: -95.849
Dist. restrs. and SS energy: 0.655 (S_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: 292
Temperature: 1.150000
Total energy: -1014.829116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.829116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.388807 (E_RNA)
where:
Base-Base interactions energy: -706.295
where: short stacking energy: -279.781
Base-Backbone interact. energy: 0.455
local terms energy: -310.548941
where:
bonds (distance) C4'-P energy: -67.371
bonds (distance) P-C4' energy: -60.131
flat angles C4'-P-C4' energy: -67.989
flat angles P-C4'-P energy: -40.396
tors. eta vs tors. theta energy: -74.662
Dist. restrs. and SS energy: 1.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1004.985252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.985252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.395368 (E_RNA)
where:
Base-Base interactions energy: -686.370
where: short stacking energy: -272.917
Base-Backbone interact. energy: 1.315
local terms energy: -322.339960
where:
bonds (distance) C4'-P energy: -72.644
bonds (distance) P-C4' energy: -55.924
flat angles C4'-P-C4' energy: -77.348
flat angles P-C4'-P energy: -49.925
tors. eta vs tors. theta energy: -66.499
Dist. restrs. and SS energy: 2.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -913.517014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.517014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.713004 (E_RNA)
where:
Base-Base interactions energy: -657.827
where: short stacking energy: -248.133
Base-Backbone interact. energy: 0.167
local terms energy: -258.052262
where:
bonds (distance) C4'-P energy: -51.336
bonds (distance) P-C4' energy: -51.981
flat angles C4'-P-C4' energy: -60.178
flat angles P-C4'-P energy: -34.158
tors. eta vs tors. theta energy: -60.399
Dist. restrs. and SS energy: 2.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -896.319932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.319932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.283088 (E_RNA)
where:
Base-Base interactions energy: -618.774
where: short stacking energy: -235.777
Base-Backbone interact. energy: 0.051
local terms energy: -284.559280
where:
bonds (distance) C4'-P energy: -43.235
bonds (distance) P-C4' energy: -69.829
flat angles C4'-P-C4' energy: -62.388
flat angles P-C4'-P energy: -48.353
tors. eta vs tors. theta energy: -60.755
Dist. restrs. and SS energy: 6.963 (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: 5
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -870.974565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.974565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.609284 (E_RNA)
where:
Base-Base interactions energy: -590.845
where: short stacking energy: -237.662
Base-Backbone interact. energy: -2.592
local terms energy: -284.172019
where:
bonds (distance) C4'-P energy: -57.126
bonds (distance) P-C4' energy: -66.879
flat angles C4'-P-C4' energy: -60.515
flat angles P-C4'-P energy: -40.748
tors. eta vs tors. theta energy: -58.905
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: 1, replica: 10
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1240.188004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.188004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.141940 (E_RNA)
where:
Base-Base interactions energy: -875.256
where: short stacking energy: -378.564
Base-Backbone interact. energy: 0.204
local terms energy: -369.090275
where:
bonds (distance) C4'-P energy: -64.997
bonds (distance) P-C4' energy: -72.027
flat angles C4'-P-C4' energy: -72.717
flat angles P-C4'-P energy: -50.136
tors. eta vs tors. theta energy: -109.213
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: 9
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1191.535879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.535879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.483190 (E_RNA)
where:
Base-Base interactions energy: -838.234
where: short stacking energy: -339.645
Base-Backbone interact. energy: -3.191
local terms energy: -359.058446
where:
bonds (distance) C4'-P energy: -57.841
bonds (distance) P-C4' energy: -67.813
flat angles C4'-P-C4' energy: -79.158
flat angles P-C4'-P energy: -53.796
tors. eta vs tors. theta energy: -100.450
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: 3, replica: 2
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1178.440236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.440236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.023612 (E_RNA)
where:
Base-Base interactions energy: -825.103
where: short stacking energy: -333.746
Base-Backbone interact. energy: -2.110
local terms energy: -354.810077
where:
bonds (distance) C4'-P energy: -62.428
bonds (distance) P-C4' energy: -69.423
flat angles C4'-P-C4' energy: -81.278
flat angles P-C4'-P energy: -48.212
tors. eta vs tors. theta energy: -93.470
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: 4, replica: 6
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1125.757802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.757802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.661025 (E_RNA)
where:
Base-Base interactions energy: -795.196
where: short stacking energy: -311.843
Base-Backbone interact. energy: -1.323
local terms energy: -334.142041
where:
bonds (distance) C4'-P energy: -60.913
bonds (distance) P-C4' energy: -71.859
flat angles C4'-P-C4' energy: -69.388
flat angles P-C4'-P energy: -49.366
tors. eta vs tors. theta energy: -82.616
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: 5, replica: 4
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1109.119636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.119636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.817607 (E_RNA)
where:
Base-Base interactions energy: -775.769
where: short stacking energy: -299.972
Base-Backbone interact. energy: -0.977
local terms energy: -333.071284
where:
bonds (distance) C4'-P energy: -64.178
bonds (distance) P-C4' energy: -74.181
flat angles C4'-P-C4' energy: -59.956
flat angles P-C4'-P energy: -41.768
tors. eta vs tors. theta energy: -92.987
Dist. restrs. and SS energy: 0.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1033.352265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.352265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.780296 (E_RNA)
where:
Base-Base interactions energy: -738.004
where: short stacking energy: -286.293
Base-Backbone interact. energy: -2.434
local terms energy: -295.342268
where:
bonds (distance) C4'-P energy: -50.322
bonds (distance) P-C4' energy: -42.319
flat angles C4'-P-C4' energy: -72.091
flat angles P-C4'-P energy: -44.818
tors. eta vs tors. theta energy: -85.793
Dist. restrs. and SS energy: 2.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -964.305196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.305196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.015571 (E_RNA)
where:
Base-Base interactions energy: -676.022
where: short stacking energy: -258.717
Base-Backbone interact. energy: 0.334
local terms energy: -290.326859
where:
bonds (distance) C4'-P energy: -55.778
bonds (distance) P-C4' energy: -42.231
flat angles C4'-P-C4' energy: -63.221
flat angles P-C4'-P energy: -54.559
tors. eta vs tors. theta energy: -74.537
Dist. restrs. and SS energy: 1.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -924.685894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.685894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.819346 (E_RNA)
where:
Base-Base interactions energy: -639.956
where: short stacking energy: -251.290
Base-Backbone interact. energy: -0.152
local terms energy: -287.711621
where:
bonds (distance) C4'-P energy: -54.612
bonds (distance) P-C4' energy: -62.717
flat angles C4'-P-C4' energy: -68.678
flat angles P-C4'-P energy: -39.117
tors. eta vs tors. theta energy: -62.588
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: 3
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -899.618270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.618270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.017184 (E_RNA)
where:
Base-Base interactions energy: -637.013
where: short stacking energy: -240.885
Base-Backbone interact. energy: -1.930
local terms energy: -265.074603
where:
bonds (distance) C4'-P energy: -57.424
bonds (distance) P-C4' energy: -63.309
flat angles C4'-P-C4' energy: -48.975
flat angles P-C4'-P energy: -38.844
tors. eta vs tors. theta energy: -56.523
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: 10, replica: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -904.946822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.946822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.257528 (E_RNA)
where:
Base-Base interactions energy: -640.745
where: short stacking energy: -257.450
Base-Backbone interact. energy: 2.418
local terms energy: -271.930891
where:
bonds (distance) C4'-P energy: -63.954
bonds (distance) P-C4' energy: -54.791
flat angles C4'-P-C4' energy: -62.944
flat angles P-C4'-P energy: -36.618
tors. eta vs tors. theta energy: -53.624
Dist. restrs. and SS energy: 5.311 (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: 10
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1255.432701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.432701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.008470 (E_RNA)
where:
Base-Base interactions energy: -867.949
where: short stacking energy: -352.349
Base-Backbone interact. energy: -4.298
local terms energy: -387.761669
where:
bonds (distance) C4'-P energy: -68.922
bonds (distance) P-C4' energy: -69.761
flat angles C4'-P-C4' energy: -79.890
flat angles P-C4'-P energy: -60.518
tors. eta vs tors. theta energy: -108.670
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: 2, replica: 9
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1201.902587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.902587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.055110 (E_RNA)
where:
Base-Base interactions energy: -851.130
where: short stacking energy: -356.841
Base-Backbone interact. energy: -0.901
local terms energy: -354.023510
where:
bonds (distance) C4'-P energy: -61.253
bonds (distance) P-C4' energy: -62.754
flat angles C4'-P-C4' energy: -76.007
flat angles P-C4'-P energy: -52.745
tors. eta vs tors. theta energy: -101.265
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: 3, replica: 2
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1201.220388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.220388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.273966 (E_RNA)
where:
Base-Base interactions energy: -851.221
where: short stacking energy: -363.120
Base-Backbone interact. energy: -0.953
local terms energy: -353.100629
where:
bonds (distance) C4'-P energy: -69.985
bonds (distance) P-C4' energy: -56.198
flat angles C4'-P-C4' energy: -74.616
flat angles P-C4'-P energy: -46.138
tors. eta vs tors. theta energy: -106.164
Dist. restrs. and SS energy: 4.054 (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: 6
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1162.289858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.289858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.712624 (E_RNA)
where:
Base-Base interactions energy: -809.155
where: short stacking energy: -334.602
Base-Backbone interact. energy: -1.279
local terms energy: -355.278991
where:
bonds (distance) C4'-P energy: -67.844
bonds (distance) P-C4' energy: -57.368
flat angles C4'-P-C4' energy: -71.185
flat angles P-C4'-P energy: -53.979
tors. eta vs tors. theta energy: -104.903
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: 5, replica: 4
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1078.072980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.072980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.422512 (E_RNA)
where:
Base-Base interactions energy: -759.087
where: short stacking energy: -281.902
Base-Backbone interact. energy: 0.687
local terms energy: -320.022841
where:
bonds (distance) C4'-P energy: -62.453
bonds (distance) P-C4' energy: -57.017
flat angles C4'-P-C4' energy: -68.808
flat angles P-C4'-P energy: -48.734
tors. eta vs tors. theta energy: -83.011
Dist. restrs. and SS energy: 0.350 (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: 8
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1012.882549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.882549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.772538 (E_RNA)
where:
Base-Base interactions energy: -707.884
where: short stacking energy: -285.583
Base-Backbone interact. energy: -0.522
local terms energy: -307.366599
where:
bonds (distance) C4'-P energy: -56.119
bonds (distance) P-C4' energy: -57.671
flat angles C4'-P-C4' energy: -64.429
flat angles P-C4'-P energy: -54.895
tors. eta vs tors. theta energy: -74.252
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: 7
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -987.632027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.632027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.351554 (E_RNA)
where:
Base-Base interactions energy: -688.191
where: short stacking energy: -288.780
Base-Backbone interact. energy: 1.213
local terms energy: -302.373715
where:
bonds (distance) C4'-P energy: -62.847
bonds (distance) P-C4' energy: -55.861
flat angles C4'-P-C4' energy: -72.014
flat angles P-C4'-P energy: -42.696
tors. eta vs tors. theta energy: -68.956
Dist. restrs. and SS energy: 1.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -947.036312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.036312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.187892 (E_RNA)
where:
Base-Base interactions energy: -657.971
where: short stacking energy: -250.428
Base-Backbone interact. energy: -0.755
local terms energy: -291.462087
where:
bonds (distance) C4'-P energy: -53.559
bonds (distance) P-C4' energy: -62.601
flat angles C4'-P-C4' energy: -69.908
flat angles P-C4'-P energy: -44.849
tors. eta vs tors. theta energy: -60.544
Dist. restrs. and SS energy: 3.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -907.341421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.341421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.720608 (E_RNA)
where:
Base-Base interactions energy: -633.905
where: short stacking energy: -233.685
Base-Backbone interact. energy: -0.657
local terms energy: -275.158804
where:
bonds (distance) C4'-P energy: -67.007
bonds (distance) P-C4' energy: -54.336
flat angles C4'-P-C4' energy: -62.656
flat angles P-C4'-P energy: -36.853
tors. eta vs tors. theta energy: -54.307
Dist. restrs. and SS energy: 2.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -842.725870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.725870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.981762 (E_RNA)
where:
Base-Base interactions energy: -581.681
where: short stacking energy: -224.196
Base-Backbone interact. energy: -1.346
local terms energy: -265.954664
where:
bonds (distance) C4'-P energy: -65.130
bonds (distance) P-C4' energy: -58.590
flat angles C4'-P-C4' energy: -55.299
flat angles P-C4'-P energy: -39.717
tors. eta vs tors. theta energy: -47.219
Dist. restrs. and SS energy: 6.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1236.225885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.225885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.097476 (E_RNA)
where:
Base-Base interactions energy: -860.420
where: short stacking energy: -360.710
Base-Backbone interact. energy: -2.071
local terms energy: -377.606360
where:
bonds (distance) C4'-P energy: -65.799
bonds (distance) P-C4' energy: -69.370
flat angles C4'-P-C4' energy: -81.453
flat angles P-C4'-P energy: -54.748
tors. eta vs tors. theta energy: -106.237
Dist. restrs. and SS energy: 3.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1191.121559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.121559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.763240 (E_RNA)
where:
Base-Base interactions energy: -827.160
where: short stacking energy: -339.079
Base-Backbone interact. energy: -2.173
local terms energy: -366.429897
where:
bonds (distance) C4'-P energy: -69.699
bonds (distance) P-C4' energy: -70.086
flat angles C4'-P-C4' energy: -74.186
flat angles P-C4'-P energy: -51.482
tors. eta vs tors. theta energy: -100.978
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: 3, replica: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1161.097028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.097028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.809752 (E_RNA)
where:
Base-Base interactions energy: -824.219
where: short stacking energy: -333.997
Base-Backbone interact. energy: -1.692
local terms energy: -339.898544
where:
bonds (distance) C4'-P energy: -62.758
bonds (distance) P-C4' energy: -70.395
flat angles C4'-P-C4' energy: -65.494
flat angles P-C4'-P energy: -47.310
tors. eta vs tors. theta energy: -93.941
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: 4, replica: 6
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1159.720580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.720580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.314921 (E_RNA)
where:
Base-Base interactions energy: -802.042
where: short stacking energy: -327.298
Base-Backbone interact. energy: -2.362
local terms energy: -357.910684
where:
bonds (distance) C4'-P energy: -73.841
bonds (distance) P-C4' energy: -61.226
flat angles C4'-P-C4' energy: -68.462
flat angles P-C4'-P energy: -59.322
tors. eta vs tors. theta energy: -95.060
Dist. restrs. and SS energy: 2.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1086.806144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.806144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.347401 (E_RNA)
where:
Base-Base interactions energy: -770.435
where: short stacking energy: -314.882
Base-Backbone interact. energy: 1.969
local terms energy: -318.881525
where:
bonds (distance) C4'-P energy: -56.341
bonds (distance) P-C4' energy: -61.930
flat angles C4'-P-C4' energy: -68.950
flat angles P-C4'-P energy: -47.990
tors. eta vs tors. theta energy: -83.671
Dist. restrs. and SS energy: 0.541 (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: 8
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1083.296657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.296657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.852961 (E_RNA)
where:
Base-Base interactions energy: -750.501
where: short stacking energy: -301.662
Base-Backbone interact. energy: 2.583
local terms energy: -338.934949
where:
bonds (distance) C4'-P energy: -58.481
bonds (distance) P-C4' energy: -68.550
flat angles C4'-P-C4' energy: -68.715
flat angles P-C4'-P energy: -52.803
tors. eta vs tors. theta energy: -90.385
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: 7, replica: 7
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -981.516809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.516809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.607739 (E_RNA)
where:
Base-Base interactions energy: -691.770
where: short stacking energy: -292.312
Base-Backbone interact. energy: 0.374
local terms energy: -296.212208
where:
bonds (distance) C4'-P energy: -61.753
bonds (distance) P-C4' energy: -55.083
flat angles C4'-P-C4' energy: -71.813
flat angles P-C4'-P energy: -43.048
tors. eta vs tors. theta energy: -64.515
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: 8, replica: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -952.616745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.616745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.319056 (E_RNA)
where:
Base-Base interactions energy: -663.978
where: short stacking energy: -255.525
Base-Backbone interact. energy: -0.690
local terms energy: -292.651042
where:
bonds (distance) C4'-P energy: -47.830
bonds (distance) P-C4' energy: -66.901
flat angles C4'-P-C4' energy: -61.332
flat angles P-C4'-P energy: -52.290
tors. eta vs tors. theta energy: -64.298
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: 9, replica: 5
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -888.097518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.097518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.743629 (E_RNA)
where:
Base-Base interactions energy: -619.632
where: short stacking energy: -223.675
Base-Backbone interact. energy: -0.122
local terms energy: -270.989286
where:
bonds (distance) C4'-P energy: -57.449
bonds (distance) P-C4' energy: -59.799
flat angles C4'-P-C4' energy: -61.115
flat angles P-C4'-P energy: -40.188
tors. eta vs tors. theta energy: -52.439
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: 10, replica: 3
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -863.025830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.025830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.548098 (E_RNA)
where:
Base-Base interactions energy: -605.091
where: short stacking energy: -234.064
Base-Backbone interact. energy: -2.655
local terms energy: -259.802640
where:
bonds (distance) C4'-P energy: -56.095
bonds (distance) P-C4' energy: -67.422
flat angles C4'-P-C4' energy: -50.527
flat angles P-C4'-P energy: -31.859
tors. eta vs tors. theta energy: -53.901
Dist. restrs. and SS energy: 4.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1239.967817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.967817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.471751 (E_RNA)
where:
Base-Base interactions energy: -870.846
where: short stacking energy: -356.950
Base-Backbone interact. energy: -1.992
local terms energy: -370.632849
where:
bonds (distance) C4'-P energy: -57.876
bonds (distance) P-C4' energy: -75.946
flat angles C4'-P-C4' energy: -80.619
flat angles P-C4'-P energy: -53.686
tors. eta vs tors. theta energy: -102.506
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: 2, replica: 9
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1217.921462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.921462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.721130 (E_RNA)
where:
Base-Base interactions energy: -853.482
where: short stacking energy: -362.352
Base-Backbone interact. energy: -1.802
local terms energy: -369.436765
where:
bonds (distance) C4'-P energy: -61.528
bonds (distance) P-C4' energy: -75.460
flat angles C4'-P-C4' energy: -76.450
flat angles P-C4'-P energy: -45.707
tors. eta vs tors. theta energy: -110.292
Dist. restrs. and SS energy: 6.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1197.040950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.040950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.228446 (E_RNA)
where:
Base-Base interactions energy: -852.275
where: short stacking energy: -359.116
Base-Backbone interact. energy: -0.449
local terms energy: -347.504877
where:
bonds (distance) C4'-P energy: -63.349
bonds (distance) P-C4' energy: -60.135
flat angles C4'-P-C4' energy: -74.629
flat angles P-C4'-P energy: -48.885
tors. eta vs tors. theta energy: -100.506
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: 4, replica: 6
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1125.043376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.043376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.863985 (E_RNA)
where:
Base-Base interactions energy: -786.232
where: short stacking energy: -312.437
Base-Backbone interact. energy: 0.111
local terms energy: -341.743302
where:
bonds (distance) C4'-P energy: -66.869
bonds (distance) P-C4' energy: -67.845
flat angles C4'-P-C4' energy: -66.262
flat angles P-C4'-P energy: -48.667
tors. eta vs tors. theta energy: -92.101
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: 5, replica: 4
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1102.042011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.042011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.753575 (E_RNA)
where:
Base-Base interactions energy: -769.179
where: short stacking energy: -308.747
Base-Backbone interact. energy: 0.465
local terms energy: -335.039551
where:
bonds (distance) C4'-P energy: -58.188
bonds (distance) P-C4' energy: -67.477
flat angles C4'-P-C4' energy: -72.993
flat angles P-C4'-P energy: -45.115
tors. eta vs tors. theta energy: -91.267
Dist. restrs. and SS energy: 1.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1086.781368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.781368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.778329 (E_RNA)
where:
Base-Base interactions energy: -774.930
where: short stacking energy: -308.623
Base-Backbone interact. energy: -2.195
local terms energy: -314.652505
where:
bonds (distance) C4'-P energy: -67.092
bonds (distance) P-C4' energy: -55.619
flat angles C4'-P-C4' energy: -61.088
flat angles P-C4'-P energy: -46.192
tors. eta vs tors. theta energy: -84.660
Dist. restrs. and SS energy: 4.997 (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: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -954.976058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.976058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.477774 (E_RNA)
where:
Base-Base interactions energy: -671.111
where: short stacking energy: -261.499
Base-Backbone interact. energy: -1.870
local terms energy: -286.496457
where:
bonds (distance) C4'-P energy: -47.695
bonds (distance) P-C4' energy: -50.096
flat angles C4'-P-C4' energy: -70.790
flat angles P-C4'-P energy: -49.115
tors. eta vs tors. theta energy: -68.801
Dist. restrs. and SS energy: 4.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -958.322893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.322893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.447831 (E_RNA)
where:
Base-Base interactions energy: -659.622
where: short stacking energy: -266.529
Base-Backbone interact. energy: -1.113
local terms energy: -299.712704
where:
bonds (distance) C4'-P energy: -53.790
bonds (distance) P-C4' energy: -64.159
flat angles C4'-P-C4' energy: -65.332
flat angles P-C4'-P energy: -42.333
tors. eta vs tors. theta energy: -74.098
Dist. restrs. and SS energy: 2.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -876.495450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.495450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.568590 (E_RNA)
where:
Base-Base interactions energy: -618.872
where: short stacking energy: -237.608
Base-Backbone interact. energy: 2.983
local terms energy: -262.680034
where:
bonds (distance) C4'-P energy: -53.695
bonds (distance) P-C4' energy: -49.131
flat angles C4'-P-C4' energy: -54.521
flat angles P-C4'-P energy: -43.799
tors. eta vs tors. theta energy: -61.533
Dist. restrs. and SS energy: 2.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -862.938866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.938866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.395241 (E_RNA)
where:
Base-Base interactions energy: -605.970
where: short stacking energy: -230.441
Base-Backbone interact. energy: -0.469
local terms energy: -258.956309
where:
bonds (distance) C4'-P energy: -49.435
bonds (distance) P-C4' energy: -67.841
flat angles C4'-P-C4' energy: -43.815
flat angles P-C4'-P energy: -38.575
tors. eta vs tors. theta energy: -59.291
Dist. restrs. and SS energy: 2.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1241.701602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.701602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.900226 (E_RNA)
where:
Base-Base interactions energy: -880.549
where: short stacking energy: -371.472
Base-Backbone interact. energy: -2.297
local terms energy: -363.054047
where:
bonds (distance) C4'-P energy: -58.472
bonds (distance) P-C4' energy: -66.606
flat angles C4'-P-C4' energy: -73.104
flat angles P-C4'-P energy: -53.557
tors. eta vs tors. theta energy: -111.315
Dist. restrs. and SS energy: 4.199 (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: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1223.960167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.960167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.040066 (E_RNA)
where:
Base-Base interactions energy: -871.557
where: short stacking energy: -346.267
Base-Backbone interact. energy: 2.626
local terms energy: -359.108893
where:
bonds (distance) C4'-P energy: -66.083
bonds (distance) P-C4' energy: -67.579
flat angles C4'-P-C4' energy: -77.662
flat angles P-C4'-P energy: -55.529
tors. eta vs tors. theta energy: -92.255
Dist. restrs. and SS energy: 4.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1208.909749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.909749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.313159 (E_RNA)
where:
Base-Base interactions energy: -837.858
where: short stacking energy: -348.718
Base-Backbone interact. energy: -2.360
local terms energy: -374.094901
where:
bonds (distance) C4'-P energy: -66.890
bonds (distance) P-C4' energy: -76.587
flat angles C4'-P-C4' energy: -79.155
flat angles P-C4'-P energy: -52.066
tors. eta vs tors. theta energy: -99.397
Dist. restrs. and SS energy: 5.403 (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: 4
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1108.836376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.836376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.232166 (E_RNA)
where:
Base-Base interactions energy: -776.147
where: short stacking energy: -309.053
Base-Backbone interact. energy: -2.469
local terms energy: -331.616569
where:
bonds (distance) C4'-P energy: -61.157
bonds (distance) P-C4' energy: -65.611
flat angles C4'-P-C4' energy: -70.171
flat angles P-C4'-P energy: -40.333
tors. eta vs tors. theta energy: -94.345
Dist. restrs. and SS energy: 1.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1098.798581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.798581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.684454 (E_RNA)
where:
Base-Base interactions energy: -761.890
where: short stacking energy: -319.668
Base-Backbone interact. energy: -2.529
local terms energy: -338.265862
where:
bonds (distance) C4'-P energy: -68.760
bonds (distance) P-C4' energy: -65.179
flat angles C4'-P-C4' energy: -61.104
flat angles P-C4'-P energy: -47.722
tors. eta vs tors. theta energy: -95.500
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: 6, replica: 8
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1071.718938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.718938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.479822 (E_RNA)
where:
Base-Base interactions energy: -749.759
where: short stacking energy: -317.462
Base-Backbone interact. energy: -0.100
local terms energy: -325.620526
where:
bonds (distance) C4'-P energy: -57.769
bonds (distance) P-C4' energy: -49.060
flat angles C4'-P-C4' energy: -78.286
flat angles P-C4'-P energy: -52.650
tors. eta vs tors. theta energy: -87.856
Dist. restrs. and SS energy: 3.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -949.395189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.395189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.788898 (E_RNA)
where:
Base-Base interactions energy: -671.095
where: short stacking energy: -259.154
Base-Backbone interact. energy: -0.586
local terms energy: -282.106952
where:
bonds (distance) C4'-P energy: -53.026
bonds (distance) P-C4' energy: -66.408
flat angles C4'-P-C4' energy: -65.220
flat angles P-C4'-P energy: -38.554
tors. eta vs tors. theta energy: -58.899
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: 8, replica: 5
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -872.974165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.974165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.306989 (E_RNA)
where:
Base-Base interactions energy: -635.083
where: short stacking energy: -244.383
Base-Backbone interact. energy: 2.612
local terms energy: -245.836154
where:
bonds (distance) C4'-P energy: -45.141
bonds (distance) P-C4' energy: -57.548
flat angles C4'-P-C4' energy: -54.895
flat angles P-C4'-P energy: -31.719
tors. eta vs tors. theta energy: -56.533
Dist. restrs. and SS energy: 5.333 (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: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -923.000428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.000428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.611974 (E_RNA)
where:
Base-Base interactions energy: -636.804
where: short stacking energy: -264.841
Base-Backbone interact. energy: -1.694
local terms energy: -288.114133
where:
bonds (distance) C4'-P energy: -42.542
bonds (distance) P-C4' energy: -64.063
flat angles C4'-P-C4' energy: -69.355
flat angles P-C4'-P energy: -43.097
tors. eta vs tors. theta energy: -69.058
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: 10, replica: 3
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -867.842642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.842642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.218865 (E_RNA)
where:
Base-Base interactions energy: -629.324
where: short stacking energy: -244.783
Base-Backbone interact. energy: -1.301
local terms energy: -243.593767
where:
bonds (distance) C4'-P energy: -47.612
bonds (distance) P-C4' energy: -43.291
flat angles C4'-P-C4' energy: -69.536
flat angles P-C4'-P energy: -28.096
tors. eta vs tors. theta energy: -55.059
Dist. restrs. and SS energy: 6.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1268.224625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.224625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.741373 (E_RNA)
where:
Base-Base interactions energy: -899.609
where: short stacking energy: -371.396
Base-Backbone interact. energy: -2.734
local terms energy: -369.397880
where:
bonds (distance) C4'-P energy: -72.144
bonds (distance) P-C4' energy: -68.692
flat angles C4'-P-C4' energy: -75.023
flat angles P-C4'-P energy: -48.913
tors. eta vs tors. theta energy: -104.625
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: 2, replica: 10
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1211.735181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.735181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.348547 (E_RNA)
where:
Base-Base interactions energy: -841.696
where: short stacking energy: -352.409
Base-Backbone interact. energy: -1.994
local terms energy: -371.658574
where:
bonds (distance) C4'-P energy: -60.979
bonds (distance) P-C4' energy: -67.802
flat angles C4'-P-C4' energy: -77.995
flat angles P-C4'-P energy: -61.701
tors. eta vs tors. theta energy: -103.181
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: 3, replica: 9
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1178.984844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.984844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.250224 (E_RNA)
where:
Base-Base interactions energy: -825.192
where: short stacking energy: -342.223
Base-Backbone interact. energy: -2.075
local terms energy: -357.983836
where:
bonds (distance) C4'-P energy: -74.020
bonds (distance) P-C4' energy: -59.916
flat angles C4'-P-C4' energy: -74.894
flat angles P-C4'-P energy: -49.573
tors. eta vs tors. theta energy: -99.581
Dist. restrs. and SS energy: 6.265 (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: 4
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1116.363155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.363155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.258774 (E_RNA)
where:
Base-Base interactions energy: -770.662
where: short stacking energy: -316.222
Base-Backbone interact. energy: 0.309
local terms energy: -346.905555
where:
bonds (distance) C4'-P energy: -60.373
bonds (distance) P-C4' energy: -74.722
flat angles C4'-P-C4' energy: -71.644
flat angles P-C4'-P energy: -48.116
tors. eta vs tors. theta energy: -92.050
Dist. restrs. and SS energy: 0.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1148.276268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.276268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.318695 (E_RNA)
where:
Base-Base interactions energy: -796.909
where: short stacking energy: -332.759
Base-Backbone interact. energy: -3.329
local terms energy: -352.080328
where:
bonds (distance) C4'-P energy: -56.642
bonds (distance) P-C4' energy: -76.683
flat angles C4'-P-C4' energy: -73.814
flat angles P-C4'-P energy: -44.235
tors. eta vs tors. theta energy: -100.707
Dist. restrs. and SS energy: 4.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1077.257037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.257037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.453239 (E_RNA)
where:
Base-Base interactions energy: -765.955
where: short stacking energy: -303.150
Base-Backbone interact. energy: -1.605
local terms energy: -312.892492
where:
bonds (distance) C4'-P energy: -60.920
bonds (distance) P-C4' energy: -60.856
flat angles C4'-P-C4' energy: -58.539
flat angles P-C4'-P energy: -54.469
tors. eta vs tors. theta energy: -78.109
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: 7, replica: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -973.664099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.664099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.671185 (E_RNA)
where:
Base-Base interactions energy: -667.843
where: short stacking energy: -270.048
Base-Backbone interact. energy: -2.689
local terms energy: -305.138886
where:
bonds (distance) C4'-P energy: -57.391
bonds (distance) P-C4' energy: -60.346
flat angles C4'-P-C4' energy: -69.446
flat angles P-C4'-P energy: -47.063
tors. eta vs tors. theta energy: -70.894
Dist. restrs. and SS energy: 2.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -907.991789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.991789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.819204 (E_RNA)
where:
Base-Base interactions energy: -624.745
where: short stacking energy: -246.733
Base-Backbone interact. energy: 5.812
local terms energy: -294.886329
where:
bonds (distance) C4'-P energy: -61.715
bonds (distance) P-C4' energy: -57.307
flat angles C4'-P-C4' energy: -64.843
flat angles P-C4'-P energy: -53.542
tors. eta vs tors. theta energy: -57.479
Dist. restrs. and SS energy: 5.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -882.753083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.753083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.824947 (E_RNA)
where:
Base-Base interactions energy: -606.304
where: short stacking energy: -244.796
Base-Backbone interact. energy: -1.102
local terms energy: -281.419728
where:
bonds (distance) C4'-P energy: -56.634
bonds (distance) P-C4' energy: -51.804
flat angles C4'-P-C4' energy: -59.287
flat angles P-C4'-P energy: -48.226
tors. eta vs tors. theta energy: -65.470
Dist. restrs. and SS energy: 6.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -878.663777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.663777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.049434 (E_RNA)
where:
Base-Base interactions energy: -615.319
where: short stacking energy: -256.385
Base-Backbone interact. energy: -1.353
local terms energy: -269.377706
where:
bonds (distance) C4'-P energy: -49.107
bonds (distance) P-C4' energy: -62.287
flat angles C4'-P-C4' energy: -57.556
flat angles P-C4'-P energy: -35.581
tors. eta vs tors. theta energy: -64.847
Dist. restrs. and SS energy: 7.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1230.509221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.509221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.511126 (E_RNA)
where:
Base-Base interactions energy: -850.576
where: short stacking energy: -359.417
Base-Backbone interact. energy: 2.125
local terms energy: -385.060058
where:
bonds (distance) C4'-P energy: -66.350
bonds (distance) P-C4' energy: -75.070
flat angles C4'-P-C4' energy: -86.977
flat angles P-C4'-P energy: -58.188
tors. eta vs tors. theta energy: -98.474
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: 2, replica: 9
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1233.510372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.510372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.955207 (E_RNA)
where:
Base-Base interactions energy: -851.728
where: short stacking energy: -355.283
Base-Backbone interact. energy: -1.876
local terms energy: -386.351917
where:
bonds (distance) C4'-P energy: -75.409
bonds (distance) P-C4' energy: -71.007
flat angles C4'-P-C4' energy: -85.291
flat angles P-C4'-P energy: -54.307
tors. eta vs tors. theta energy: -100.338
Dist. restrs. and SS energy: 6.445 (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: 10
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1175.846768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.846768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.309867 (E_RNA)
where:
Base-Base interactions energy: -800.692
where: short stacking energy: -337.549
Base-Backbone interact. energy: -2.014
local terms energy: -377.603925
where:
bonds (distance) C4'-P energy: -71.060
bonds (distance) P-C4' energy: -78.181
flat angles C4'-P-C4' energy: -70.388
flat angles P-C4'-P energy: -56.432
tors. eta vs tors. theta energy: -101.543
Dist. restrs. and SS energy: 4.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1138.502598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.502598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.698656 (E_RNA)
where:
Base-Base interactions energy: -801.520
where: short stacking energy: -316.295
Base-Backbone interact. energy: -2.459
local terms energy: -337.719492
where:
bonds (distance) C4'-P energy: -56.344
bonds (distance) P-C4' energy: -65.196
flat angles C4'-P-C4' energy: -73.498
flat angles P-C4'-P energy: -49.295
tors. eta vs tors. theta energy: -93.387
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: 5, replica: 4
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1122.151405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.151405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.760127 (E_RNA)
where:
Base-Base interactions energy: -788.421
where: short stacking energy: -324.071
Base-Backbone interact. energy: 0.145
local terms energy: -334.484255
where:
bonds (distance) C4'-P energy: -59.800
bonds (distance) P-C4' energy: -61.683
flat angles C4'-P-C4' energy: -70.404
flat angles P-C4'-P energy: -50.444
tors. eta vs tors. theta energy: -92.153
Dist. restrs. and SS energy: 0.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1079.923399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.923399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.679629 (E_RNA)
where:
Base-Base interactions energy: -745.942
where: short stacking energy: -290.139
Base-Backbone interact. energy: -2.251
local terms energy: -334.485830
where:
bonds (distance) C4'-P energy: -64.748
bonds (distance) P-C4' energy: -63.025
flat angles C4'-P-C4' energy: -72.878
flat angles P-C4'-P energy: -52.611
tors. eta vs tors. theta energy: -81.224
Dist. restrs. and SS energy: 2.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -976.622792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.622792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.298081 (E_RNA)
where:
Base-Base interactions energy: -694.031
where: short stacking energy: -274.816
Base-Backbone interact. energy: -1.767
local terms energy: -281.500444
where:
bonds (distance) C4'-P energy: -48.818
bonds (distance) P-C4' energy: -52.722
flat angles C4'-P-C4' energy: -70.509
flat angles P-C4'-P energy: -51.387
tors. eta vs tors. theta energy: -58.065
Dist. restrs. and SS energy: 0.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -951.490231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.490231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.601037 (E_RNA)
where:
Base-Base interactions energy: -652.144
where: short stacking energy: -276.229
Base-Backbone interact. energy: 0.587
local terms energy: -307.044265
where:
bonds (distance) C4'-P energy: -62.482
bonds (distance) P-C4' energy: -59.227
flat angles C4'-P-C4' energy: -70.571
flat angles P-C4'-P energy: -37.300
tors. eta vs tors. theta energy: -77.464
Dist. restrs. and SS energy: 7.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -901.582188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.582188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.503211 (E_RNA)
where:
Base-Base interactions energy: -633.862
where: short stacking energy: -233.683
Base-Backbone interact. energy: 0.372
local terms energy: -272.013260
where:
bonds (distance) C4'-P energy: -57.966
bonds (distance) P-C4' energy: -62.932
flat angles C4'-P-C4' energy: -60.997
flat angles P-C4'-P energy: -35.792
tors. eta vs tors. theta energy: -54.325
Dist. restrs. and SS energy: 3.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -883.616048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.616048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.486033 (E_RNA)
where:
Base-Base interactions energy: -630.853
where: short stacking energy: -250.918
Base-Backbone interact. energy: 1.520
local terms energy: -258.152626
where:
bonds (distance) C4'-P energy: -51.572
bonds (distance) P-C4' energy: -59.363
flat angles C4'-P-C4' energy: -57.871
flat angles P-C4'-P energy: -28.002
tors. eta vs tors. theta energy: -61.344
Dist. restrs. and SS energy: 3.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1241.563292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.563292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.258150 (E_RNA)
where:
Base-Base interactions energy: -876.850
where: short stacking energy: -356.868
Base-Backbone interact. energy: -3.963
local terms energy: -363.445066
where:
bonds (distance) C4'-P energy: -65.857
bonds (distance) P-C4' energy: -70.589
flat angles C4'-P-C4' energy: -79.436
flat angles P-C4'-P energy: -58.708
tors. eta vs tors. theta energy: -88.855
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: 9
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1205.620704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.620704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.789769 (E_RNA)
where:
Base-Base interactions energy: -854.942
where: short stacking energy: -348.007
Base-Backbone interact. energy: -0.492
local terms energy: -357.355537
where:
bonds (distance) C4'-P energy: -60.622
bonds (distance) P-C4' energy: -75.552
flat angles C4'-P-C4' energy: -72.448
flat angles P-C4'-P energy: -57.413
tors. eta vs tors. theta energy: -91.321
Dist. restrs. and SS energy: 7.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1146.251474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.251474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.785606 (E_RNA)
where:
Base-Base interactions energy: -796.317
where: short stacking energy: -336.255
Base-Backbone interact. energy: -4.493
local terms energy: -349.975329
where:
bonds (distance) C4'-P energy: -63.571
bonds (distance) P-C4' energy: -68.739
flat angles C4'-P-C4' energy: -79.237
flat angles P-C4'-P energy: -45.105
tors. eta vs tors. theta energy: -93.324
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: 4, replica: 10
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1127.007734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.007734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.748036 (E_RNA)
where:
Base-Base interactions energy: -768.436
where: short stacking energy: -320.318
Base-Backbone interact. energy: -1.839
local terms energy: -361.473450
where:
bonds (distance) C4'-P energy: -76.404
bonds (distance) P-C4' energy: -72.095
flat angles C4'-P-C4' energy: -72.100
flat angles P-C4'-P energy: -51.617
tors. eta vs tors. theta energy: -89.258
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: 5, replica: 4
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1108.068193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.068193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.665815 (E_RNA)
where:
Base-Base interactions energy: -764.917
where: short stacking energy: -318.053
Base-Backbone interact. energy: -3.754
local terms energy: -340.995086
where:
bonds (distance) C4'-P energy: -62.852
bonds (distance) P-C4' energy: -66.396
flat angles C4'-P-C4' energy: -77.261
flat angles P-C4'-P energy: -40.252
tors. eta vs tors. theta energy: -94.234
Dist. restrs. and SS energy: 1.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1078.125187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.125187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.133610 (E_RNA)
where:
Base-Base interactions energy: -750.176
where: short stacking energy: -301.615
Base-Backbone interact. energy: -2.714
local terms energy: -330.243002
where:
bonds (distance) C4'-P energy: -65.751
bonds (distance) P-C4' energy: -68.537
flat angles C4'-P-C4' energy: -65.793
flat angles P-C4'-P energy: -44.958
tors. eta vs tors. theta energy: -85.204
Dist. restrs. and SS energy: 5.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -999.869404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.869404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.350488 (E_RNA)
where:
Base-Base interactions energy: -683.112
where: short stacking energy: -281.235
Base-Backbone interact. energy: -1.540
local terms energy: -316.698249
where:
bonds (distance) C4'-P energy: -61.385
bonds (distance) P-C4' energy: -53.807
flat angles C4'-P-C4' energy: -72.056
flat angles P-C4'-P energy: -49.644
tors. eta vs tors. theta energy: -79.807
Dist. restrs. and SS energy: 1.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -915.281170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.281170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.173853 (E_RNA)
where:
Base-Base interactions energy: -628.444
where: short stacking energy: -242.086
Base-Backbone interact. energy: -0.209
local terms energy: -287.521419
where:
bonds (distance) C4'-P energy: -69.190
bonds (distance) P-C4' energy: -64.790
flat angles C4'-P-C4' energy: -66.761
flat angles P-C4'-P energy: -35.098
tors. eta vs tors. theta energy: -51.682
Dist. restrs. and SS energy: 0.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -921.691375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.691375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.909041 (E_RNA)
where:
Base-Base interactions energy: -649.569
where: short stacking energy: -263.459
Base-Backbone interact. energy: -0.867
local terms energy: -279.472691
where:
bonds (distance) C4'-P energy: -49.838
bonds (distance) P-C4' energy: -59.076
flat angles C4'-P-C4' energy: -60.647
flat angles P-C4'-P energy: -46.479
tors. eta vs tors. theta energy: -63.432
Dist. restrs. and SS energy: 8.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -866.811437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.811437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.958548 (E_RNA)
where:
Base-Base interactions energy: -607.167
where: short stacking energy: -230.279
Base-Backbone interact. energy: 5.556
local terms energy: -271.348052
where:
bonds (distance) C4'-P energy: -55.838
bonds (distance) P-C4' energy: -50.475
flat angles C4'-P-C4' energy: -59.936
flat angles P-C4'-P energy: -39.534
tors. eta vs tors. theta energy: -65.565
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: 1, replica: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1238.936682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.936682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.754493 (E_RNA)
where:
Base-Base interactions energy: -867.853
where: short stacking energy: -357.650
Base-Backbone interact. energy: -1.653
local terms energy: -372.248823
where:
bonds (distance) C4'-P energy: -62.723
bonds (distance) P-C4' energy: -77.322
flat angles C4'-P-C4' energy: -76.288
flat angles P-C4'-P energy: -59.796
tors. eta vs tors. theta energy: -96.120
Dist. restrs. and SS energy: 2.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1196.760964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.760964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.365381 (E_RNA)
where:
Base-Base interactions energy: -840.851
where: short stacking energy: -342.247
Base-Backbone interact. energy: 0.345
local terms energy: -364.859472
where:
bonds (distance) C4'-P energy: -55.791
bonds (distance) P-C4' energy: -77.253
flat angles C4'-P-C4' energy: -77.734
flat angles P-C4'-P energy: -52.955
tors. eta vs tors. theta energy: -101.127
Dist. restrs. and SS energy: 8.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1127.566705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.566705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.459088 (E_RNA)
where:
Base-Base interactions energy: -792.153
where: short stacking energy: -329.115
Base-Backbone interact. energy: 1.874
local terms energy: -342.180490
where:
bonds (distance) C4'-P energy: -59.322
bonds (distance) P-C4' energy: -58.506
flat angles C4'-P-C4' energy: -72.888
flat angles P-C4'-P energy: -54.828
tors. eta vs tors. theta energy: -96.637
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: 4, replica: 4
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1127.778876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.778876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.894810 (E_RNA)
where:
Base-Base interactions energy: -787.130
where: short stacking energy: -328.462
Base-Backbone interact. energy: -0.747
local terms energy: -342.017938
where:
bonds (distance) C4'-P energy: -61.936
bonds (distance) P-C4' energy: -72.616
flat angles C4'-P-C4' energy: -70.197
flat angles P-C4'-P energy: -51.598
tors. eta vs tors. theta energy: -85.670
Dist. restrs. and SS energy: 2.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1129.245455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.245455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.402886 (E_RNA)
where:
Base-Base interactions energy: -795.476
where: short stacking energy: -325.813
Base-Backbone interact. energy: -2.395
local terms energy: -334.531590
where:
bonds (distance) C4'-P energy: -60.323
bonds (distance) P-C4' energy: -66.875
flat angles C4'-P-C4' energy: -62.980
flat angles P-C4'-P energy: -58.503
tors. eta vs tors. theta energy: -85.849
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: 6, replica: 6
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1064.347171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.347171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.607958 (E_RNA)
where:
Base-Base interactions energy: -761.035
where: short stacking energy: -325.409
Base-Backbone interact. energy: -0.429
local terms energy: -307.143305
where:
bonds (distance) C4'-P energy: -52.685
bonds (distance) P-C4' energy: -55.001
flat angles C4'-P-C4' energy: -79.211
flat angles P-C4'-P energy: -33.865
tors. eta vs tors. theta energy: -86.382
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: 7, replica: 3
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1014.471850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.471850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.347646 (E_RNA)
where:
Base-Base interactions energy: -708.766
where: short stacking energy: -287.874
Base-Backbone interact. energy: 0.080
local terms energy: -308.661571
where:
bonds (distance) C4'-P energy: -54.123
bonds (distance) P-C4' energy: -55.347
flat angles C4'-P-C4' energy: -73.157
flat angles P-C4'-P energy: -47.087
tors. eta vs tors. theta energy: -78.949
Dist. restrs. and SS energy: 2.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -951.693281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.693281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.402754 (E_RNA)
where:
Base-Base interactions energy: -678.945
where: short stacking energy: -269.920
Base-Backbone interact. energy: -2.738
local terms energy: -276.719680
where:
bonds (distance) C4'-P energy: -46.459
bonds (distance) P-C4' energy: -60.627
flat angles C4'-P-C4' energy: -59.287
flat angles P-C4'-P energy: -46.569
tors. eta vs tors. theta energy: -63.778
Dist. restrs. and SS energy: 6.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -933.724025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.724025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.794231 (E_RNA)
where:
Base-Base interactions energy: -654.170
where: short stacking energy: -254.672
Base-Backbone interact. energy: -1.941
local terms energy: -278.683725
where:
bonds (distance) C4'-P energy: -53.190
bonds (distance) P-C4' energy: -58.262
flat angles C4'-P-C4' energy: -55.225
flat angles P-C4'-P energy: -46.791
tors. eta vs tors. theta energy: -65.216
Dist. restrs. and SS energy: 1.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -851.872725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.872725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.179214 (E_RNA)
where:
Base-Base interactions energy: -589.533
where: short stacking energy: -218.816
Base-Backbone interact. energy: -3.138
local terms energy: -265.508070
where:
bonds (distance) C4'-P energy: -63.464
bonds (distance) P-C4' energy: -65.177
flat angles C4'-P-C4' energy: -59.716
flat angles P-C4'-P energy: -29.006
tors. eta vs tors. theta energy: -48.145
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: 1, replica: 9
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1241.651366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.651366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.295983 (E_RNA)
where:
Base-Base interactions energy: -858.659
where: short stacking energy: -361.203
Base-Backbone interact. energy: -1.424
local terms energy: -387.212808
where:
bonds (distance) C4'-P energy: -70.851
bonds (distance) P-C4' energy: -77.750
flat angles C4'-P-C4' energy: -79.987
flat angles P-C4'-P energy: -56.378
tors. eta vs tors. theta energy: -102.248
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: 2, replica: 2
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1224.972396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.972396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.890947 (E_RNA)
where:
Base-Base interactions energy: -861.852
where: short stacking energy: -338.277
Base-Backbone interact. energy: -1.766
local terms energy: -365.272327
where:
bonds (distance) C4'-P energy: -62.430
bonds (distance) P-C4' energy: -76.087
flat angles C4'-P-C4' energy: -87.390
flat angles P-C4'-P energy: -46.031
tors. eta vs tors. theta energy: -93.335
Dist. restrs. and SS energy: 3.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1137.963338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.963338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.278071 (E_RNA)
where:
Base-Base interactions energy: -804.058
where: short stacking energy: -326.067
Base-Backbone interact. energy: -1.937
local terms energy: -336.283578
where:
bonds (distance) C4'-P energy: -64.228
bonds (distance) P-C4' energy: -67.914
flat angles C4'-P-C4' energy: -81.285
flat angles P-C4'-P energy: -43.372
tors. eta vs tors. theta energy: -79.485
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: 4, replica: 4
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1124.431837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.431837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.558542 (E_RNA)
where:
Base-Base interactions energy: -773.494
where: short stacking energy: -317.694
Base-Backbone interact. energy: -1.391
local terms energy: -351.674168
where:
bonds (distance) C4'-P energy: -63.271
bonds (distance) P-C4' energy: -74.167
flat angles C4'-P-C4' energy: -73.569
flat angles P-C4'-P energy: -49.104
tors. eta vs tors. theta energy: -91.563
Dist. restrs. and SS energy: 2.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1113.381860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.381860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.991229 (E_RNA)
where:
Base-Base interactions energy: -783.374
where: short stacking energy: -320.944
Base-Backbone interact. energy: -1.135
local terms energy: -331.481924
where:
bonds (distance) C4'-P energy: -62.502
bonds (distance) P-C4' energy: -58.242
flat angles C4'-P-C4' energy: -75.862
flat angles P-C4'-P energy: -41.295
tors. eta vs tors. theta energy: -93.580
Dist. restrs. and SS energy: 2.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1064.038159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.038159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.580702 (E_RNA)
where:
Base-Base interactions energy: -747.834
where: short stacking energy: -318.022
Base-Backbone interact. energy: -1.216
local terms energy: -318.531063
where:
bonds (distance) C4'-P energy: -63.363
bonds (distance) P-C4' energy: -58.517
flat angles C4'-P-C4' energy: -63.269
flat angles P-C4'-P energy: -48.793
tors. eta vs tors. theta energy: -84.589
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: 7, replica: 3
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1004.169035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.169035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.039204 (E_RNA)
where:
Base-Base interactions energy: -709.404
where: short stacking energy: -282.947
Base-Backbone interact. energy: 0.468
local terms energy: -297.102842
where:
bonds (distance) C4'-P energy: -53.406
bonds (distance) P-C4' energy: -58.209
flat angles C4'-P-C4' energy: -74.635
flat angles P-C4'-P energy: -36.877
tors. eta vs tors. theta energy: -73.976
Dist. restrs. and SS energy: 1.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -933.541315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.541315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.415612 (E_RNA)
where:
Base-Base interactions energy: -663.799
where: short stacking energy: -270.511
Base-Backbone interact. energy: -1.848
local terms energy: -273.767760
where:
bonds (distance) C4'-P energy: -41.949
bonds (distance) P-C4' energy: -51.054
flat angles C4'-P-C4' energy: -74.104
flat angles P-C4'-P energy: -38.686
tors. eta vs tors. theta energy: -67.975
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: 9, replica: 1
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -876.440197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.440197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.552904 (E_RNA)
where:
Base-Base interactions energy: -614.029
where: short stacking energy: -239.177
Base-Backbone interact. energy: 2.209
local terms energy: -267.732290
where:
bonds (distance) C4'-P energy: -55.466
bonds (distance) P-C4' energy: -54.660
flat angles C4'-P-C4' energy: -63.855
flat angles P-C4'-P energy: -33.441
tors. eta vs tors. theta energy: -60.310
Dist. restrs. and SS energy: 3.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -873.970096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.970096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.853145 (E_RNA)
where:
Base-Base interactions energy: -618.152
where: short stacking energy: -246.094
Base-Backbone interact. energy: -1.571
local terms energy: -261.130749
where:
bonds (distance) C4'-P energy: -56.682
bonds (distance) P-C4' energy: -53.461
flat angles C4'-P-C4' energy: -62.180
flat angles P-C4'-P energy: -29.843
tors. eta vs tors. theta energy: -58.964
Dist. restrs. and SS energy: 6.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1240.807320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.807320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.781437 (E_RNA)
where:
Base-Base interactions energy: -868.071
where: short stacking energy: -374.756
Base-Backbone interact. energy: -0.855
local terms energy: -377.855922
where:
bonds (distance) C4'-P energy: -69.772
bonds (distance) P-C4' energy: -66.534
flat angles C4'-P-C4' energy: -77.394
flat angles P-C4'-P energy: -61.134
tors. eta vs tors. theta energy: -103.021
Dist. restrs. and SS energy: 5.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1244.399506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.399506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.553284 (E_RNA)
where:
Base-Base interactions energy: -868.700
where: short stacking energy: -353.106
Base-Backbone interact. energy: -3.234
local terms energy: -376.619748
where:
bonds (distance) C4'-P energy: -68.211
bonds (distance) P-C4' energy: -73.771
flat angles C4'-P-C4' energy: -75.895
flat angles P-C4'-P energy: -63.033
tors. eta vs tors. theta energy: -95.710
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: 3, replica: 8
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1123.125931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.125931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.665316 (E_RNA)
where:
Base-Base interactions energy: -779.718
where: short stacking energy: -318.505
Base-Backbone interact. energy: -2.391
local terms energy: -344.556621
where:
bonds (distance) C4'-P energy: -67.362
bonds (distance) P-C4' energy: -57.085
flat angles C4'-P-C4' energy: -80.447
flat angles P-C4'-P energy: -52.038
tors. eta vs tors. theta energy: -87.625
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: 4, replica: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1146.942410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.942410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.540957 (E_RNA)
where:
Base-Base interactions energy: -797.173
where: short stacking energy: -348.168
Base-Backbone interact. energy: -1.896
local terms energy: -351.471401
where:
bonds (distance) C4'-P energy: -65.512
bonds (distance) P-C4' energy: -64.449
flat angles C4'-P-C4' energy: -78.161
flat angles P-C4'-P energy: -49.067
tors. eta vs tors. theta energy: -94.282
Dist. restrs. and SS energy: 3.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1102.589188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.589188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.104046 (E_RNA)
where:
Base-Base interactions energy: -787.053
where: short stacking energy: -313.740
Base-Backbone interact. energy: -1.664
local terms energy: -317.386471
where:
bonds (distance) C4'-P energy: -50.216
bonds (distance) P-C4' energy: -67.882
flat angles C4'-P-C4' energy: -65.274
flat angles P-C4'-P energy: -41.331
tors. eta vs tors. theta energy: -92.684
Dist. restrs. and SS energy: 3.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1082.124791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.124791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.795114 (E_RNA)
where:
Base-Base interactions energy: -752.488
where: short stacking energy: -310.328
Base-Backbone interact. energy: -0.671
local terms energy: -332.636735
where:
bonds (distance) C4'-P energy: -50.363
bonds (distance) P-C4' energy: -72.260
flat angles C4'-P-C4' energy: -70.878
flat angles P-C4'-P energy: -50.485
tors. eta vs tors. theta energy: -88.650
Dist. restrs. and SS energy: 3.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1007.288234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.288234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.271499 (E_RNA)
where:
Base-Base interactions energy: -701.612
where: short stacking energy: -292.120
Base-Backbone interact. energy: -1.228
local terms energy: -307.431723
where:
bonds (distance) C4'-P energy: -57.583
bonds (distance) P-C4' energy: -63.641
flat angles C4'-P-C4' energy: -71.380
flat angles P-C4'-P energy: -33.332
tors. eta vs tors. theta energy: -81.497
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: 8, replica: 7
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -951.223585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.223585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.618278 (E_RNA)
where:
Base-Base interactions energy: -664.252
where: short stacking energy: -255.412
Base-Backbone interact. energy: -1.389
local terms energy: -292.977439
where:
bonds (distance) C4'-P energy: -47.672
bonds (distance) P-C4' energy: -57.600
flat angles C4'-P-C4' energy: -67.019
flat angles P-C4'-P energy: -42.638
tors. eta vs tors. theta energy: -78.048
Dist. restrs. and SS energy: 7.395 (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: 1
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -913.329115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.329115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.881437 (E_RNA)
where:
Base-Base interactions energy: -649.212
where: short stacking energy: -268.800
Base-Backbone interact. energy: -0.367
local terms energy: -268.302817
where:
bonds (distance) C4'-P energy: -43.493
bonds (distance) P-C4' energy: -57.394
flat angles C4'-P-C4' energy: -68.553
flat angles P-C4'-P energy: -36.297
tors. eta vs tors. theta energy: -62.566
Dist. restrs. and SS energy: 4.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -887.284372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.284372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.053306 (E_RNA)
where:
Base-Base interactions energy: -641.396
where: short stacking energy: -244.881
Base-Backbone interact. energy: -2.228
local terms energy: -245.429715
where:
bonds (distance) C4'-P energy: -56.437
bonds (distance) P-C4' energy: -50.590
flat angles C4'-P-C4' energy: -56.943
flat angles P-C4'-P energy: -25.975
tors. eta vs tors. theta energy: -55.484
Dist. restrs. and SS energy: 1.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1234.438169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.438169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.618406 (E_RNA)
where:
Base-Base interactions energy: -851.010
where: short stacking energy: -359.157
Base-Backbone interact. energy: 1.333
local terms energy: -389.941350
where:
bonds (distance) C4'-P energy: -77.683
bonds (distance) P-C4' energy: -68.337
flat angles C4'-P-C4' energy: -82.232
flat angles P-C4'-P energy: -58.900
tors. eta vs tors. theta energy: -102.788
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: 2, replica: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1222.565179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.565179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.280860 (E_RNA)
where:
Base-Base interactions energy: -850.863
where: short stacking energy: -350.706
Base-Backbone interact. energy: -1.420
local terms energy: -373.997273
where:
bonds (distance) C4'-P energy: -73.009
bonds (distance) P-C4' energy: -74.320
flat angles C4'-P-C4' energy: -76.067
flat angles P-C4'-P energy: -55.284
tors. eta vs tors. theta energy: -95.318
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: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1149.991925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.991925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.154679 (E_RNA)
where:
Base-Base interactions energy: -801.625
where: short stacking energy: -329.694
Base-Backbone interact. energy: -1.618
local terms energy: -350.911467
where:
bonds (distance) C4'-P energy: -65.553
bonds (distance) P-C4' energy: -76.045
flat angles C4'-P-C4' energy: -75.158
flat angles P-C4'-P energy: -48.163
tors. eta vs tors. theta energy: -85.992
Dist. restrs. and SS energy: 4.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1098.676276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.676276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.056602 (E_RNA)
where:
Base-Base interactions energy: -782.934
where: short stacking energy: -300.272
Base-Backbone interact. energy: -3.017
local terms energy: -322.105579
where:
bonds (distance) C4'-P energy: -54.795
bonds (distance) P-C4' energy: -68.295
flat angles C4'-P-C4' energy: -72.270
flat angles P-C4'-P energy: -46.652
tors. eta vs tors. theta energy: -80.093
Dist. restrs. and SS energy: 9.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1109.834941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.834941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.137531 (E_RNA)
where:
Base-Base interactions energy: -789.530
where: short stacking energy: -314.605
Base-Backbone interact. energy: -2.908
local terms energy: -322.699326
where:
bonds (distance) C4'-P energy: -54.305
bonds (distance) P-C4' energy: -62.998
flat angles C4'-P-C4' energy: -64.898
flat angles P-C4'-P energy: -56.148
tors. eta vs tors. theta energy: -84.351
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: 6, replica: 6
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1049.315820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.315820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.762408 (E_RNA)
where:
Base-Base interactions energy: -731.141
where: short stacking energy: -280.597
Base-Backbone interact. energy: -1.294
local terms energy: -320.327387
where:
bonds (distance) C4'-P energy: -67.729
bonds (distance) P-C4' energy: -62.537
flat angles C4'-P-C4' energy: -62.236
flat angles P-C4'-P energy: -45.571
tors. eta vs tors. theta energy: -82.254
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: 7, replica: 3
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -981.350586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.350586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.555702 (E_RNA)
where:
Base-Base interactions energy: -676.557
where: short stacking energy: -254.766
Base-Backbone interact. energy: 0.836
local terms energy: -308.834610
where:
bonds (distance) C4'-P energy: -62.827
bonds (distance) P-C4' energy: -59.687
flat angles C4'-P-C4' energy: -66.508
flat angles P-C4'-P energy: -50.669
tors. eta vs tors. theta energy: -69.143
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: 8, replica: 7
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -945.980230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.980230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.737300 (E_RNA)
where:
Base-Base interactions energy: -667.584
where: short stacking energy: -250.571
Base-Backbone interact. energy: -3.213
local terms energy: -278.940845
where:
bonds (distance) C4'-P energy: -62.418
bonds (distance) P-C4' energy: -59.592
flat angles C4'-P-C4' energy: -54.801
flat angles P-C4'-P energy: -40.221
tors. eta vs tors. theta energy: -61.909
Dist. restrs. and SS energy: 3.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -897.745552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.745552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.291437 (E_RNA)
where:
Base-Base interactions energy: -616.460
where: short stacking energy: -242.078
Base-Backbone interact. energy: -3.095
local terms energy: -285.736604
where:
bonds (distance) C4'-P energy: -51.971
bonds (distance) P-C4' energy: -63.937
flat angles C4'-P-C4' energy: -66.773
flat angles P-C4'-P energy: -45.447
tors. eta vs tors. theta energy: -57.608
Dist. restrs. and SS energy: 7.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -869.044969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.044969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.718168 (E_RNA)
where:
Base-Base interactions energy: -622.261
where: short stacking energy: -219.103
Base-Backbone interact. energy: 3.988
local terms energy: -253.445570
where:
bonds (distance) C4'-P energy: -52.624
bonds (distance) P-C4' energy: -53.954
flat angles C4'-P-C4' energy: -59.942
flat angles P-C4'-P energy: -27.150
tors. eta vs tors. theta energy: -59.776
Dist. restrs. and SS energy: 2.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1255.355997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.355997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.551824 (E_RNA)
where:
Base-Base interactions energy: -870.581
where: short stacking energy: -357.473
Base-Backbone interact. energy: -2.761
local terms energy: -386.210273
where:
bonds (distance) C4'-P energy: -75.469
bonds (distance) P-C4' energy: -69.581
flat angles C4'-P-C4' energy: -83.516
flat angles P-C4'-P energy: -44.460
tors. eta vs tors. theta energy: -113.184
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: 2, replica: 2
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1220.569900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.569900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.019632 (E_RNA)
where:
Base-Base interactions energy: -849.845
where: short stacking energy: -353.009
Base-Backbone interact. energy: -1.496
local terms energy: -372.678497
where:
bonds (distance) C4'-P energy: -71.389
bonds (distance) P-C4' energy: -65.286
flat angles C4'-P-C4' energy: -83.000
flat angles P-C4'-P energy: -53.641
tors. eta vs tors. theta energy: -99.363
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: 3, replica: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1160.196170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.196170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.549564 (E_RNA)
where:
Base-Base interactions energy: -824.525
where: short stacking energy: -344.310
Base-Backbone interact. energy: -2.030
local terms energy: -336.994459
where:
bonds (distance) C4'-P energy: -64.208
bonds (distance) P-C4' energy: -48.025
flat angles C4'-P-C4' energy: -77.617
flat angles P-C4'-P energy: -59.346
tors. eta vs tors. theta energy: -87.798
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: 4, replica: 10
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1136.766748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.766748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.701049 (E_RNA)
where:
Base-Base interactions energy: -795.325
where: short stacking energy: -314.444
Base-Backbone interact. energy: -1.817
local terms energy: -345.559357
where:
bonds (distance) C4'-P energy: -59.345
bonds (distance) P-C4' energy: -65.323
flat angles C4'-P-C4' energy: -76.822
flat angles P-C4'-P energy: -54.583
tors. eta vs tors. theta energy: -89.487
Dist. restrs. and SS energy: 5.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1085.557521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.557521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.232918 (E_RNA)
where:
Base-Base interactions energy: -773.304
where: short stacking energy: -301.808
Base-Backbone interact. energy: -1.884
local terms energy: -314.044582
where:
bonds (distance) C4'-P energy: -67.301
bonds (distance) P-C4' energy: -58.112
flat angles C4'-P-C4' energy: -74.494
flat angles P-C4'-P energy: -40.753
tors. eta vs tors. theta energy: -73.384
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: 6, replica: 6
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1073.944330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.944330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.561407 (E_RNA)
where:
Base-Base interactions energy: -756.894
where: short stacking energy: -298.321
Base-Backbone interact. energy: 0.620
local terms energy: -321.286792
where:
bonds (distance) C4'-P energy: -63.497
bonds (distance) P-C4' energy: -53.385
flat angles C4'-P-C4' energy: -75.221
flat angles P-C4'-P energy: -52.865
tors. eta vs tors. theta energy: -76.319
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: 7, replica: 3
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1011.135812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.135812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.978456 (E_RNA)
where:
Base-Base interactions energy: -732.283
where: short stacking energy: -310.521
Base-Backbone interact. energy: -0.809
local terms energy: -281.886328
where:
bonds (distance) C4'-P energy: -52.043
bonds (distance) P-C4' energy: -51.486
flat angles C4'-P-C4' energy: -68.855
flat angles P-C4'-P energy: -40.930
tors. eta vs tors. theta energy: -68.572
Dist. restrs. and SS energy: 3.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -953.216899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.216899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.756705 (E_RNA)
where:
Base-Base interactions energy: -667.225
where: short stacking energy: -279.161
Base-Backbone interact. energy: -1.205
local terms energy: -289.327093
where:
bonds (distance) C4'-P energy: -56.466
bonds (distance) P-C4' energy: -58.296
flat angles C4'-P-C4' energy: -60.715
flat angles P-C4'-P energy: -39.601
tors. eta vs tors. theta energy: -74.250
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: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -914.310565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.310565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.131614 (E_RNA)
where:
Base-Base interactions energy: -631.716
where: short stacking energy: -240.934
Base-Backbone interact. energy: -1.470
local terms energy: -284.945455
where:
bonds (distance) C4'-P energy: -54.433
bonds (distance) P-C4' energy: -60.964
flat angles C4'-P-C4' energy: -63.629
flat angles P-C4'-P energy: -35.917
tors. eta vs tors. theta energy: -70.002
Dist. restrs. and SS energy: 3.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -880.981629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.981629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.154882 (E_RNA)
where:
Base-Base interactions energy: -633.677
where: short stacking energy: -256.097
Base-Backbone interact. energy: -1.874
local terms energy: -248.603622
where:
bonds (distance) C4'-P energy: -45.683
bonds (distance) P-C4' energy: -51.563
flat angles C4'-P-C4' energy: -52.092
flat angles P-C4'-P energy: -26.338
tors. eta vs tors. theta energy: -72.928
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: 1, replica: 9
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1255.822141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.822141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.187960 (E_RNA)
where:
Base-Base interactions energy: -893.516
where: short stacking energy: -361.724
Base-Backbone interact. energy: 0.168
local terms energy: -370.840756
where:
bonds (distance) C4'-P energy: -59.630
bonds (distance) P-C4' energy: -68.009
flat angles C4'-P-C4' energy: -81.814
flat angles P-C4'-P energy: -60.634
tors. eta vs tors. theta energy: -100.754
Dist. restrs. and SS energy: 8.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1218.895953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.895953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.424370 (E_RNA)
where:
Base-Base interactions energy: -857.245
where: short stacking energy: -366.198
Base-Backbone interact. energy: -2.338
local terms energy: -362.841921
where:
bonds (distance) C4'-P energy: -61.582
bonds (distance) P-C4' energy: -70.913
flat angles C4'-P-C4' energy: -72.230
flat angles P-C4'-P energy: -52.374
tors. eta vs tors. theta energy: -105.744
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: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1164.128976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.128976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.554966 (E_RNA)
where:
Base-Base interactions energy: -811.859
where: short stacking energy: -342.234
Base-Backbone interact. energy: -1.583
local terms energy: -354.113099
where:
bonds (distance) C4'-P energy: -67.846
bonds (distance) P-C4' energy: -63.569
flat angles C4'-P-C4' energy: -77.380
flat angles P-C4'-P energy: -48.000
tors. eta vs tors. theta energy: -97.319
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: 10
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1111.639691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.639691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.564956 (E_RNA)
where:
Base-Base interactions energy: -760.740
where: short stacking energy: -305.168
Base-Backbone interact. energy: 0.300
local terms energy: -357.124064
where:
bonds (distance) C4'-P energy: -69.835
bonds (distance) P-C4' energy: -65.113
flat angles C4'-P-C4' energy: -79.497
flat angles P-C4'-P energy: -50.336
tors. eta vs tors. theta energy: -92.342
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: 5, replica: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1084.504472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.504472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.624773 (E_RNA)
where:
Base-Base interactions energy: -770.022
where: short stacking energy: -312.238
Base-Backbone interact. energy: -0.135
local terms energy: -317.467130
where:
bonds (distance) C4'-P energy: -61.468
bonds (distance) P-C4' energy: -51.743
flat angles C4'-P-C4' energy: -72.026
flat angles P-C4'-P energy: -45.973
tors. eta vs tors. theta energy: -86.257
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: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1044.648237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.648237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.932922 (E_RNA)
where:
Base-Base interactions energy: -729.449
where: short stacking energy: -292.789
Base-Backbone interact. energy: -0.854
local terms energy: -316.630446
where:
bonds (distance) C4'-P energy: -64.358
bonds (distance) P-C4' energy: -63.352
flat angles C4'-P-C4' energy: -65.069
flat angles P-C4'-P energy: -48.118
tors. eta vs tors. theta energy: -75.733
Dist. restrs. and SS energy: 2.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -985.588439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.588439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.739605 (E_RNA)
where:
Base-Base interactions energy: -706.625
where: short stacking energy: -275.247
Base-Backbone interact. energy: 1.341
local terms energy: -286.455429
where:
bonds (distance) C4'-P energy: -55.224
bonds (distance) P-C4' energy: -62.155
flat angles C4'-P-C4' energy: -69.151
flat angles P-C4'-P energy: -32.565
tors. eta vs tors. theta energy: -67.360
Dist. restrs. and SS energy: 6.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -934.093519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.093519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.443059 (E_RNA)
where:
Base-Base interactions energy: -668.508
where: short stacking energy: -257.593
Base-Backbone interact. energy: 0.741
local terms energy: -270.676121
where:
bonds (distance) C4'-P energy: -51.539
bonds (distance) P-C4' energy: -60.431
flat angles C4'-P-C4' energy: -62.932
flat angles P-C4'-P energy: -39.531
tors. eta vs tors. theta energy: -56.242
Dist. restrs. and SS energy: 4.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -911.532990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.532990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.171753 (E_RNA)
where:
Base-Base interactions energy: -644.723
where: short stacking energy: -267.572
Base-Backbone interact. energy: 0.892
local terms energy: -277.341435
where:
bonds (distance) C4'-P energy: -56.978
bonds (distance) P-C4' energy: -53.803
flat angles C4'-P-C4' energy: -60.977
flat angles P-C4'-P energy: -35.873
tors. eta vs tors. theta energy: -69.711
Dist. restrs. and SS energy: 9.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -878.626370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.626370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.179613 (E_RNA)
where:
Base-Base interactions energy: -620.349
where: short stacking energy: -242.043
Base-Backbone interact. energy: 3.176
local terms energy: -266.006961
where:
bonds (distance) C4'-P energy: -58.168
bonds (distance) P-C4' energy: -47.618
flat angles C4'-P-C4' energy: -54.257
flat angles P-C4'-P energy: -46.511
tors. eta vs tors. theta energy: -59.453
Dist. restrs. and SS energy: 4.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1269.929442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.929442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.750578 (E_RNA)
where:
Base-Base interactions energy: -906.797
where: short stacking energy: -358.269
Base-Backbone interact. energy: -0.993
local terms energy: -368.960301
where:
bonds (distance) C4'-P energy: -64.385
bonds (distance) P-C4' energy: -71.161
flat angles C4'-P-C4' energy: -73.855
flat angles P-C4'-P energy: -57.084
tors. eta vs tors. theta energy: -102.476
Dist. restrs. and SS energy: 6.821 (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: 2
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1236.338760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.338760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.705979 (E_RNA)
where:
Base-Base interactions energy: -876.516
where: short stacking energy: -343.166
Base-Backbone interact. energy: -0.956
local terms energy: -362.233853
where:
bonds (distance) C4'-P energy: -68.996
bonds (distance) P-C4' energy: -75.346
flat angles C4'-P-C4' energy: -72.808
flat angles P-C4'-P energy: -49.111
tors. eta vs tors. theta energy: -95.973
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: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1153.614521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.614521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.542136 (E_RNA)
where:
Base-Base interactions energy: -787.279
where: short stacking energy: -323.174
Base-Backbone interact. energy: -2.364
local terms energy: -366.899090
where:
bonds (distance) C4'-P energy: -68.699
bonds (distance) P-C4' energy: -74.385
flat angles C4'-P-C4' energy: -82.954
flat angles P-C4'-P energy: -54.886
tors. eta vs tors. theta energy: -85.976
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: 4, replica: 10
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1132.393052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.393052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.462660 (E_RNA)
where:
Base-Base interactions energy: -776.607
where: short stacking energy: -312.540
Base-Backbone interact. energy: -0.506
local terms energy: -359.349870
where:
bonds (distance) C4'-P energy: -70.883
bonds (distance) P-C4' energy: -67.216
flat angles C4'-P-C4' energy: -68.907
flat angles P-C4'-P energy: -58.284
tors. eta vs tors. theta energy: -94.059
Dist. restrs. and SS energy: 4.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1075.737850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.737850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.590268 (E_RNA)
where:
Base-Base interactions energy: -758.759
where: short stacking energy: -303.315
Base-Backbone interact. energy: -1.851
local terms energy: -317.979677
where:
bonds (distance) C4'-P energy: -62.244
bonds (distance) P-C4' energy: -61.591
flat angles C4'-P-C4' energy: -66.878
flat angles P-C4'-P energy: -44.525
tors. eta vs tors. theta energy: -82.741
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: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1052.845033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.845033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.505386 (E_RNA)
where:
Base-Base interactions energy: -738.505
where: short stacking energy: -296.362
Base-Backbone interact. energy: 1.941
local terms energy: -319.942108
where:
bonds (distance) C4'-P energy: -55.555
bonds (distance) P-C4' energy: -67.777
flat angles C4'-P-C4' energy: -67.648
flat angles P-C4'-P energy: -51.436
tors. eta vs tors. theta energy: -77.527
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: 7, replica: 3
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -944.606299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.606299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.946271 (E_RNA)
where:
Base-Base interactions energy: -657.545
where: short stacking energy: -251.975
Base-Backbone interact. energy: -1.808
local terms energy: -298.593174
where:
bonds (distance) C4'-P energy: -57.727
bonds (distance) P-C4' energy: -63.704
flat angles C4'-P-C4' energy: -64.379
flat angles P-C4'-P energy: -47.303
tors. eta vs tors. theta energy: -65.482
Dist. restrs. and SS energy: 13.340 (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: 307
Temperature: 1.250000
Total energy: -929.229909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.229909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.960715 (E_RNA)
where:
Base-Base interactions energy: -653.116
where: short stacking energy: -262.298
Base-Backbone interact. energy: 0.184
local terms energy: -282.028663
where:
bonds (distance) C4'-P energy: -57.139
bonds (distance) P-C4' energy: -49.586
flat angles C4'-P-C4' energy: -68.339
flat angles P-C4'-P energy: -41.359
tors. eta vs tors. theta energy: -65.607
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: 9, replica: 5
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -853.259610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.259610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.552130 (E_RNA)
where:
Base-Base interactions energy: -577.377
where: short stacking energy: -227.539
Base-Backbone interact. energy: -0.179
local terms energy: -283.995903
where:
bonds (distance) C4'-P energy: -56.320
bonds (distance) P-C4' energy: -59.426
flat angles C4'-P-C4' energy: -71.264
flat angles P-C4'-P energy: -42.648
tors. eta vs tors. theta energy: -54.338
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: 1
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -906.849424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.849424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.524963 (E_RNA)
where:
Base-Base interactions energy: -616.574
where: short stacking energy: -260.143
Base-Backbone interact. energy: -1.336
local terms energy: -292.614962
where:
bonds (distance) C4'-P energy: -51.231
bonds (distance) P-C4' energy: -68.827
flat angles C4'-P-C4' energy: -66.115
flat angles P-C4'-P energy: -41.965
tors. eta vs tors. theta energy: -64.476
Dist. restrs. and SS energy: 3.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1257.506502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.506502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.979795 (E_RNA)
where:
Base-Base interactions energy: -901.559
where: short stacking energy: -368.667
Base-Backbone interact. energy: -2.093
local terms energy: -361.328258
where:
bonds (distance) C4'-P energy: -67.065
bonds (distance) P-C4' energy: -56.697
flat angles C4'-P-C4' energy: -81.751
flat angles P-C4'-P energy: -51.854
tors. eta vs tors. theta energy: -103.962
Dist. restrs. and SS energy: 7.473 (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: 2
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1240.311323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.311323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.183503 (E_RNA)
where:
Base-Base interactions energy: -872.223
where: short stacking energy: -362.341
Base-Backbone interact. energy: -3.533
local terms energy: -367.427503
where:
bonds (distance) C4'-P energy: -71.962
bonds (distance) P-C4' energy: -69.802
flat angles C4'-P-C4' energy: -73.172
flat angles P-C4'-P energy: -53.063
tors. eta vs tors. theta energy: -99.429
Dist. restrs. and SS energy: 2.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1164.565625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.565625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.689229 (E_RNA)
where:
Base-Base interactions energy: -824.347
where: short stacking energy: -335.427
Base-Backbone interact. energy: 1.070
local terms energy: -345.412547
where:
bonds (distance) C4'-P energy: -63.855
bonds (distance) P-C4' energy: -70.131
flat angles C4'-P-C4' energy: -67.118
flat angles P-C4'-P energy: -48.394
tors. eta vs tors. theta energy: -95.915
Dist. restrs. and SS energy: 4.124 (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: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1128.888850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.888850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.286171 (E_RNA)
where:
Base-Base interactions energy: -803.510
where: short stacking energy: -327.453
Base-Backbone interact. energy: 0.244
local terms energy: -328.019798
where:
bonds (distance) C4'-P energy: -65.340
bonds (distance) P-C4' energy: -56.988
flat angles C4'-P-C4' energy: -72.682
flat angles P-C4'-P energy: -42.876
tors. eta vs tors. theta energy: -90.133
Dist. restrs. and SS energy: 2.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1103.095329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.095329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.546395 (E_RNA)
where:
Base-Base interactions energy: -788.132
where: short stacking energy: -317.745
Base-Backbone interact. energy: -0.115
local terms energy: -319.299541
where:
bonds (distance) C4'-P energy: -60.440
bonds (distance) P-C4' energy: -63.760
flat angles C4'-P-C4' energy: -71.359
flat angles P-C4'-P energy: -43.916
tors. eta vs tors. theta energy: -79.825
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: 6, replica: 6
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1030.815525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.815525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.384649 (E_RNA)
where:
Base-Base interactions energy: -724.808
where: short stacking energy: -269.719
Base-Backbone interact. energy: -3.018
local terms energy: -307.559062
where:
bonds (distance) C4'-P energy: -60.208
bonds (distance) P-C4' energy: -68.426
flat angles C4'-P-C4' energy: -56.654
flat angles P-C4'-P energy: -49.009
tors. eta vs tors. theta energy: -73.262
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: 3
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -962.435316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.435316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.517199 (E_RNA)
where:
Base-Base interactions energy: -676.373
where: short stacking energy: -282.389
Base-Backbone interact. energy: 2.739
local terms energy: -295.883431
where:
bonds (distance) C4'-P energy: -53.361
bonds (distance) P-C4' energy: -63.073
flat angles C4'-P-C4' energy: -61.018
flat angles P-C4'-P energy: -44.449
tors. eta vs tors. theta energy: -73.983
Dist. restrs. and SS energy: 7.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -929.714026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.714026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.684771 (E_RNA)
where:
Base-Base interactions energy: -644.784
where: short stacking energy: -266.373
Base-Backbone interact. energy: -1.923
local terms energy: -290.977846
where:
bonds (distance) C4'-P energy: -56.943
bonds (distance) P-C4' energy: -55.893
flat angles C4'-P-C4' energy: -73.455
flat angles P-C4'-P energy: -41.725
tors. eta vs tors. theta energy: -62.963
Dist. restrs. and SS energy: 7.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -906.246826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.246826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.929899 (E_RNA)
where:
Base-Base interactions energy: -635.096
where: short stacking energy: -258.049
Base-Backbone interact. energy: -0.979
local terms energy: -273.854771
where:
bonds (distance) C4'-P energy: -48.192
bonds (distance) P-C4' energy: -52.816
flat angles C4'-P-C4' energy: -71.528
flat angles P-C4'-P energy: -34.135
tors. eta vs tors. theta energy: -67.183
Dist. restrs. and SS energy: 3.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -843.304532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.304532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.211558 (E_RNA)
where:
Base-Base interactions energy: -574.556
where: short stacking energy: -230.186
Base-Backbone interact. energy: 1.834
local terms energy: -282.489817
where:
bonds (distance) C4'-P energy: -64.017
bonds (distance) P-C4' energy: -73.977
flat angles C4'-P-C4' energy: -63.969
flat angles P-C4'-P energy: -30.077
tors. eta vs tors. theta energy: -50.449
Dist. restrs. and SS energy: 11.907 (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: 9
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1264.930793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.930793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.190695 (E_RNA)
where:
Base-Base interactions energy: -888.723
where: short stacking energy: -367.280
Base-Backbone interact. energy: -2.711
local terms energy: -380.757215
where:
bonds (distance) C4'-P energy: -68.081
bonds (distance) P-C4' energy: -74.928
flat angles C4'-P-C4' energy: -72.205
flat angles P-C4'-P energy: -63.090
tors. eta vs tors. theta energy: -102.453
Dist. restrs. and SS energy: 7.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1238.577067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.577067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.849955 (E_RNA)
where:
Base-Base interactions energy: -881.860
where: short stacking energy: -364.542
Base-Backbone interact. energy: 3.131
local terms energy: -363.121577
where:
bonds (distance) C4'-P energy: -54.436
bonds (distance) P-C4' energy: -72.708
flat angles C4'-P-C4' energy: -76.535
flat angles P-C4'-P energy: -57.476
tors. eta vs tors. theta energy: -101.966
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: 3, replica: 10
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1157.473108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.473108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.680223 (E_RNA)
where:
Base-Base interactions energy: -811.691
where: short stacking energy: -344.481
Base-Backbone interact. energy: -1.849
local terms energy: -347.139753
where:
bonds (distance) C4'-P energy: -60.532
bonds (distance) P-C4' energy: -59.564
flat angles C4'-P-C4' energy: -72.738
flat angles P-C4'-P energy: -56.764
tors. eta vs tors. theta energy: -97.541
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: 4
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1141.459483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.459483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.619132 (E_RNA)
where:
Base-Base interactions energy: -790.565
where: short stacking energy: -317.704
Base-Backbone interact. energy: -1.267
local terms energy: -352.787026
where:
bonds (distance) C4'-P energy: -62.679
bonds (distance) P-C4' energy: -77.192
flat angles C4'-P-C4' energy: -68.314
flat angles P-C4'-P energy: -50.234
tors. eta vs tors. theta energy: -94.368
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: 5, replica: 8
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1083.568876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.568876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.785958 (E_RNA)
where:
Base-Base interactions energy: -758.106
where: short stacking energy: -316.158
Base-Backbone interact. energy: -1.677
local terms energy: -329.003666
where:
bonds (distance) C4'-P energy: -54.892
bonds (distance) P-C4' energy: -59.515
flat angles C4'-P-C4' energy: -77.168
flat angles P-C4'-P energy: -42.576
tors. eta vs tors. theta energy: -94.853
Dist. restrs. and SS energy: 5.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1061.763480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.763480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.812134 (E_RNA)
where:
Base-Base interactions energy: -737.163
where: short stacking energy: -294.374
Base-Backbone interact. energy: -2.239
local terms energy: -325.410223
where:
bonds (distance) C4'-P energy: -50.703
bonds (distance) P-C4' energy: -65.085
flat angles C4'-P-C4' energy: -69.679
flat angles P-C4'-P energy: -57.407
tors. eta vs tors. theta energy: -82.537
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: 7, replica: 3
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -977.426839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.426839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.345856 (E_RNA)
where:
Base-Base interactions energy: -670.970
where: short stacking energy: -278.711
Base-Backbone interact. energy: 1.072
local terms energy: -315.448377
where:
bonds (distance) C4'-P energy: -55.032
bonds (distance) P-C4' energy: -65.690
flat angles C4'-P-C4' energy: -69.860
flat angles P-C4'-P energy: -48.960
tors. eta vs tors. theta energy: -75.906
Dist. restrs. and SS energy: 7.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -940.108013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.108013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.476911 (E_RNA)
where:
Base-Base interactions energy: -663.960
where: short stacking energy: -270.722
Base-Backbone interact. energy: -1.301
local terms energy: -283.216738
where:
bonds (distance) C4'-P energy: -48.522
bonds (distance) P-C4' energy: -64.223
flat angles C4'-P-C4' energy: -67.130
flat angles P-C4'-P energy: -35.937
tors. eta vs tors. theta energy: -67.405
Dist. restrs. and SS energy: 8.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -893.758382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.758382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.203284 (E_RNA)
where:
Base-Base interactions energy: -624.028
where: short stacking energy: -249.474
Base-Backbone interact. energy: -1.478
local terms energy: -274.696874
where:
bonds (distance) C4'-P energy: -55.862
bonds (distance) P-C4' energy: -59.577
flat angles C4'-P-C4' energy: -65.599
flat angles P-C4'-P energy: -31.454
tors. eta vs tors. theta energy: -62.204
Dist. restrs. and SS energy: 6.445 (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: 5
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -851.529727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.529727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.424555 (E_RNA)
where:
Base-Base interactions energy: -587.802
where: short stacking energy: -238.065
Base-Backbone interact. energy: -1.619
local terms energy: -275.004105
where:
bonds (distance) C4'-P energy: -59.943
bonds (distance) P-C4' energy: -57.796
flat angles C4'-P-C4' energy: -59.662
flat angles P-C4'-P energy: -40.241
tors. eta vs tors. theta energy: -57.362
Dist. restrs. and SS energy: 12.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1265.291154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.291154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.743659 (E_RNA)
where:
Base-Base interactions energy: -889.814
where: short stacking energy: -360.366
Base-Backbone interact. energy: -1.285
local terms energy: -380.644701
where:
bonds (distance) C4'-P energy: -73.494
bonds (distance) P-C4' energy: -66.105
flat angles C4'-P-C4' energy: -79.455
flat angles P-C4'-P energy: -56.377
tors. eta vs tors. theta energy: -105.214
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: 2, replica: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1216.731335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.731335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.600413 (E_RNA)
where:
Base-Base interactions energy: -870.091
where: short stacking energy: -349.266
Base-Backbone interact. energy: -1.032
local terms energy: -349.477755
where:
bonds (distance) C4'-P energy: -69.864
bonds (distance) P-C4' energy: -69.280
flat angles C4'-P-C4' energy: -79.162
flat angles P-C4'-P energy: -41.367
tors. eta vs tors. theta energy: -89.804
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: 4
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1181.666229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.666229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.266468 (E_RNA)
where:
Base-Base interactions energy: -835.331
where: short stacking energy: -339.144
Base-Backbone interact. energy: -4.828
local terms energy: -343.107045
where:
bonds (distance) C4'-P energy: -63.384
bonds (distance) P-C4' energy: -66.732
flat angles C4'-P-C4' energy: -67.688
flat angles P-C4'-P energy: -46.273
tors. eta vs tors. theta energy: -99.029
Dist. restrs. and SS energy: 1.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1118.882395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.882395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.456150 (E_RNA)
where:
Base-Base interactions energy: -795.576
where: short stacking energy: -321.539
Base-Backbone interact. energy: -2.733
local terms energy: -324.147381
where:
bonds (distance) C4'-P energy: -52.124
bonds (distance) P-C4' energy: -59.014
flat angles C4'-P-C4' energy: -74.843
flat angles P-C4'-P energy: -54.849
tors. eta vs tors. theta energy: -83.317
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: 310
Temperature: 1.100000
Total energy: -1114.196921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.196921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.324314 (E_RNA)
where:
Base-Base interactions energy: -776.706
where: short stacking energy: -318.725
Base-Backbone interact. energy: -1.539
local terms energy: -342.079413
where:
bonds (distance) C4'-P energy: -64.469
bonds (distance) P-C4' energy: -69.556
flat angles C4'-P-C4' energy: -73.167
flat angles P-C4'-P energy: -44.401
tors. eta vs tors. theta energy: -90.487
Dist. restrs. and SS energy: 6.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1079.708496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.708496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.278788 (E_RNA)
where:
Base-Base interactions energy: -757.182
where: short stacking energy: -323.476
Base-Backbone interact. energy: -2.070
local terms energy: -324.026386
where:
bonds (distance) C4'-P energy: -54.982
bonds (distance) P-C4' energy: -62.756
flat angles C4'-P-C4' energy: -71.514
flat angles P-C4'-P energy: -44.845
tors. eta vs tors. theta energy: -89.929
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: 7, replica: 7
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1010.439735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.439735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.637221 (E_RNA)
where:
Base-Base interactions energy: -695.444
where: short stacking energy: -285.267
Base-Backbone interact. energy: -0.417
local terms energy: -320.776459
where:
bonds (distance) C4'-P energy: -61.041
bonds (distance) P-C4' energy: -55.239
flat angles C4'-P-C4' energy: -81.360
flat angles P-C4'-P energy: -50.431
tors. eta vs tors. theta energy: -72.706
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: 8, replica: 3
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -954.477002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.477002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.954490 (E_RNA)
where:
Base-Base interactions energy: -675.221
where: short stacking energy: -246.562
Base-Backbone interact. energy: -1.524
local terms energy: -286.209107
where:
bonds (distance) C4'-P energy: -55.361
bonds (distance) P-C4' energy: -53.829
flat angles C4'-P-C4' energy: -58.945
flat angles P-C4'-P energy: -56.834
tors. eta vs tors. theta energy: -61.241
Dist. restrs. and SS energy: 8.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -918.330249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.330249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.893719 (E_RNA)
where:
Base-Base interactions energy: -626.127
where: short stacking energy: -259.127
Base-Backbone interact. energy: 0.536
local terms energy: -297.303101
where:
bonds (distance) C4'-P energy: -61.376
bonds (distance) P-C4' energy: -59.175
flat angles C4'-P-C4' energy: -63.971
flat angles P-C4'-P energy: -42.779
tors. eta vs tors. theta energy: -70.002
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: 10, replica: 5
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -867.357740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.357740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.963145 (E_RNA)
where:
Base-Base interactions energy: -596.953
where: short stacking energy: -241.886
Base-Backbone interact. energy: -0.851
local terms energy: -276.158557
where:
bonds (distance) C4'-P energy: -50.292
bonds (distance) P-C4' energy: -63.689
flat angles C4'-P-C4' energy: -62.777
flat angles P-C4'-P energy: -37.774
tors. eta vs tors. theta energy: -61.626
Dist. restrs. and SS energy: 6.605 (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: 9
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1264.907851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.907851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.833972 (E_RNA)
where:
Base-Base interactions energy: -902.206
where: short stacking energy: -361.421
Base-Backbone interact. energy: -3.529
local terms energy: -369.098905
where:
bonds (distance) C4'-P energy: -68.027
bonds (distance) P-C4' energy: -72.979
flat angles C4'-P-C4' energy: -72.313
flat angles P-C4'-P energy: -53.927
tors. eta vs tors. theta energy: -101.853
Dist. restrs. and SS energy: 9.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1209.155481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.155481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.564449 (E_RNA)
where:
Base-Base interactions energy: -837.775
where: short stacking energy: -344.392
Base-Backbone interact. energy: 0.496
local terms energy: -372.285843
where:
bonds (distance) C4'-P energy: -68.114
bonds (distance) P-C4' energy: -71.001
flat angles C4'-P-C4' energy: -82.808
flat angles P-C4'-P energy: -46.178
tors. eta vs tors. theta energy: -104.184
Dist. restrs. and SS energy: 0.409 (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: 2
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1198.780069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.780069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.826059 (E_RNA)
where:
Base-Base interactions energy: -850.557
where: short stacking energy: -330.767
Base-Backbone interact. energy: -0.441
local terms energy: -351.828073
where:
bonds (distance) C4'-P energy: -68.912
bonds (distance) P-C4' energy: -74.549
flat angles C4'-P-C4' energy: -77.133
flat angles P-C4'-P energy: -49.034
tors. eta vs tors. theta energy: -82.200
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: 4, replica: 8
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1095.310733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.310733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.452334 (E_RNA)
where:
Base-Base interactions energy: -770.124
where: short stacking energy: -296.141
Base-Backbone interact. energy: -2.731
local terms energy: -326.596882
where:
bonds (distance) C4'-P energy: -65.623
bonds (distance) P-C4' energy: -61.999
flat angles C4'-P-C4' energy: -77.024
flat angles P-C4'-P energy: -40.941
tors. eta vs tors. theta energy: -81.009
Dist. restrs. and SS energy: 4.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1111.901316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.901316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.466088 (E_RNA)
where:
Base-Base interactions energy: -765.116
where: short stacking energy: -308.271
Base-Backbone interact. energy: -0.063
local terms energy: -350.287757
where:
bonds (distance) C4'-P energy: -74.294
bonds (distance) P-C4' energy: -65.934
flat angles C4'-P-C4' energy: -72.977
flat angles P-C4'-P energy: -49.454
tors. eta vs tors. theta energy: -87.629
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: 6, replica: 7
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1023.291478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.291478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.739563 (E_RNA)
where:
Base-Base interactions energy: -719.855
where: short stacking energy: -278.525
Base-Backbone interact. energy: -2.691
local terms energy: -308.192992
where:
bonds (distance) C4'-P energy: -65.434
bonds (distance) P-C4' energy: -63.334
flat angles C4'-P-C4' energy: -75.063
flat angles P-C4'-P energy: -35.190
tors. eta vs tors. theta energy: -69.172
Dist. restrs. and SS energy: 7.448 (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: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1002.024886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.024886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.529106 (E_RNA)
where:
Base-Base interactions energy: -710.448
where: short stacking energy: -285.734
Base-Backbone interact. energy: -1.816
local terms energy: -294.264824
where:
bonds (distance) C4'-P energy: -49.410
bonds (distance) P-C4' energy: -57.322
flat angles C4'-P-C4' energy: -68.781
flat angles P-C4'-P energy: -44.319
tors. eta vs tors. theta energy: -74.433
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: 8, replica: 3
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -936.868544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.868544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.602222 (E_RNA)
where:
Base-Base interactions energy: -647.014
where: short stacking energy: -275.179
Base-Backbone interact. energy: 2.443
local terms energy: -299.031278
where:
bonds (distance) C4'-P energy: -50.805
bonds (distance) P-C4' energy: -76.427
flat angles C4'-P-C4' energy: -73.290
flat angles P-C4'-P energy: -40.438
tors. eta vs tors. theta energy: -58.072
Dist. restrs. and SS energy: 6.734 (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: 1
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -915.260943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.260943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.404046 (E_RNA)
where:
Base-Base interactions energy: -630.219
where: short stacking energy: -232.948
Base-Backbone interact. energy: 1.620
local terms energy: -291.805370
where:
bonds (distance) C4'-P energy: -48.640
bonds (distance) P-C4' energy: -70.174
flat angles C4'-P-C4' energy: -79.179
flat angles P-C4'-P energy: -42.510
tors. eta vs tors. theta energy: -51.302
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: 10, replica: 5
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -894.102256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.102256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.739301 (E_RNA)
where:
Base-Base interactions energy: -610.138
where: short stacking energy: -244.309
Base-Backbone interact. energy: -0.919
local terms energy: -290.681998
where:
bonds (distance) C4'-P energy: -58.401
bonds (distance) P-C4' energy: -64.690
flat angles C4'-P-C4' energy: -57.646
flat angles P-C4'-P energy: -49.294
tors. eta vs tors. theta energy: -60.651
Dist. restrs. and SS energy: 7.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1249.305099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.305099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.284062 (E_RNA)
where:
Base-Base interactions energy: -880.771
where: short stacking energy: -365.057
Base-Backbone interact. energy: -4.085
local terms energy: -373.428402
where:
bonds (distance) C4'-P energy: -65.937
bonds (distance) P-C4' energy: -63.418
flat angles C4'-P-C4' energy: -83.426
flat angles P-C4'-P energy: -55.261
tors. eta vs tors. theta energy: -105.386
Dist. restrs. and SS energy: 8.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1176.652716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.652716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.271060 (E_RNA)
where:
Base-Base interactions energy: -834.992
where: short stacking energy: -337.529
Base-Backbone interact. energy: -3.400
local terms energy: -338.879760
where:
bonds (distance) C4'-P energy: -63.146
bonds (distance) P-C4' energy: -63.926
flat angles C4'-P-C4' energy: -70.983
flat angles P-C4'-P energy: -47.733
tors. eta vs tors. theta energy: -93.092
Dist. restrs. and SS energy: 0.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1199.926214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.926214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.293999 (E_RNA)
where:
Base-Base interactions energy: -844.752
where: short stacking energy: -340.003
Base-Backbone interact. energy: -2.691
local terms energy: -356.850342
where:
bonds (distance) C4'-P energy: -59.330
bonds (distance) P-C4' energy: -67.293
flat angles C4'-P-C4' energy: -76.267
flat angles P-C4'-P energy: -55.659
tors. eta vs tors. theta energy: -98.302
Dist. restrs. and SS energy: 4.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1112.935830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.935830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.497499 (E_RNA)
where:
Base-Base interactions energy: -778.029
where: short stacking energy: -304.007
Base-Backbone interact. energy: -1.848
local terms energy: -335.620583
where:
bonds (distance) C4'-P energy: -55.479
bonds (distance) P-C4' energy: -66.203
flat angles C4'-P-C4' energy: -70.885
flat angles P-C4'-P energy: -50.238
tors. eta vs tors. theta energy: -92.816
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: 5, replica: 10
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1137.538040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.538040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.488659 (E_RNA)
where:
Base-Base interactions energy: -780.842
where: short stacking energy: -322.835
Base-Backbone interact. energy: -2.426
local terms energy: -357.220850
where:
bonds (distance) C4'-P energy: -62.085
bonds (distance) P-C4' energy: -67.037
flat angles C4'-P-C4' energy: -76.002
flat angles P-C4'-P energy: -55.504
tors. eta vs tors. theta energy: -96.593
Dist. restrs. and SS energy: 2.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1042.309429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.309429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.377512 (E_RNA)
where:
Base-Base interactions energy: -729.832
where: short stacking energy: -286.129
Base-Backbone interact. energy: -1.169
local terms energy: -317.376082
where:
bonds (distance) C4'-P energy: -61.845
bonds (distance) P-C4' energy: -66.643
flat angles C4'-P-C4' energy: -68.947
flat angles P-C4'-P energy: -46.023
tors. eta vs tors. theta energy: -73.917
Dist. restrs. and SS energy: 6.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1003.380407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.380407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.957204 (E_RNA)
where:
Base-Base interactions energy: -702.963
where: short stacking energy: -297.273
Base-Backbone interact. energy: -0.877
local terms energy: -310.117137
where:
bonds (distance) C4'-P energy: -63.908
bonds (distance) P-C4' energy: -58.118
flat angles C4'-P-C4' energy: -59.282
flat angles P-C4'-P energy: -39.615
tors. eta vs tors. theta energy: -89.194
Dist. restrs. and SS energy: 10.577 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -927.794824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.794824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.608051 (E_RNA)
where:
Base-Base interactions energy: -656.837
where: short stacking energy: -263.439
Base-Backbone interact. energy: -1.627
local terms energy: -276.143930
where:
bonds (distance) C4'-P energy: -58.245
bonds (distance) P-C4' energy: -58.035
flat angles C4'-P-C4' energy: -66.658
flat angles P-C4'-P energy: -29.942
tors. eta vs tors. theta energy: -63.263
Dist. restrs. and SS energy: 6.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -870.854703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.854703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.997749 (E_RNA)
where:
Base-Base interactions energy: -613.381
where: short stacking energy: -237.401
Base-Backbone interact. energy: 0.008
local terms energy: -263.625375
where:
bonds (distance) C4'-P energy: -55.241
bonds (distance) P-C4' energy: -49.834
flat angles C4'-P-C4' energy: -65.126
flat angles P-C4'-P energy: -34.911
tors. eta vs tors. theta energy: -58.513
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: 10, replica: 1
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -881.558961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.558961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.888140 (E_RNA)
where:
Base-Base interactions energy: -636.260
where: short stacking energy: -243.703
Base-Backbone interact. energy: -0.896
local terms energy: -250.731957
where:
bonds (distance) C4'-P energy: -49.792
bonds (distance) P-C4' energy: -50.991
flat angles C4'-P-C4' energy: -54.840
flat angles P-C4'-P energy: -39.377
tors. eta vs tors. theta energy: -55.732
Dist. restrs. and SS energy: 6.329 (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: 9
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1246.516183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.516183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.970364 (E_RNA)
where:
Base-Base interactions energy: -880.757
where: short stacking energy: -364.728
Base-Backbone interact. energy: -1.120
local terms energy: -371.092918
where:
bonds (distance) C4'-P energy: -63.603
bonds (distance) P-C4' energy: -71.838
flat angles C4'-P-C4' energy: -80.901
flat angles P-C4'-P energy: -50.497
tors. eta vs tors. theta energy: -104.253
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: 2, replica: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1205.008585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.008585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.831587 (E_RNA)
where:
Base-Base interactions energy: -843.112
where: short stacking energy: -357.425
Base-Backbone interact. energy: 0.931
local terms energy: -365.651070
where:
bonds (distance) C4'-P energy: -68.949
bonds (distance) P-C4' energy: -62.431
flat angles C4'-P-C4' energy: -84.961
flat angles P-C4'-P energy: -47.770
tors. eta vs tors. theta energy: -101.541
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: 4
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1163.349951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.349951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.242152 (E_RNA)
where:
Base-Base interactions energy: -818.670
where: short stacking energy: -315.737
Base-Backbone interact. energy: -1.795
local terms energy: -343.776749
where:
bonds (distance) C4'-P energy: -60.184
bonds (distance) P-C4' energy: -69.189
flat angles C4'-P-C4' energy: -75.435
flat angles P-C4'-P energy: -49.572
tors. eta vs tors. theta energy: -89.396
Dist. restrs. and SS energy: 0.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1136.822571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.822571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.931670 (E_RNA)
where:
Base-Base interactions energy: -797.265
where: short stacking energy: -321.367
Base-Backbone interact. energy: -1.540
local terms energy: -343.126687
where:
bonds (distance) C4'-P energy: -62.608
bonds (distance) P-C4' energy: -65.466
flat angles C4'-P-C4' energy: -81.398
flat angles P-C4'-P energy: -43.751
tors. eta vs tors. theta energy: -89.904
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: 8
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1054.350295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.350295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.360524 (E_RNA)
where:
Base-Base interactions energy: -753.441
where: short stacking energy: -276.366
Base-Backbone interact. energy: -1.642
local terms energy: -307.278032
where:
bonds (distance) C4'-P energy: -58.716
bonds (distance) P-C4' energy: -68.744
flat angles C4'-P-C4' energy: -73.244
flat angles P-C4'-P energy: -38.750
tors. eta vs tors. theta energy: -67.823
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: 6, replica: 6
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1045.776853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.776853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.186273 (E_RNA)
where:
Base-Base interactions energy: -728.113
where: short stacking energy: -309.651
Base-Backbone interact. energy: 3.073
local terms energy: -329.146186
where:
bonds (distance) C4'-P energy: -51.269
bonds (distance) P-C4' energy: -63.784
flat angles C4'-P-C4' energy: -72.375
flat angles P-C4'-P energy: -48.350
tors. eta vs tors. theta energy: -93.369
Dist. restrs. and SS energy: 8.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1001.441879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.441879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.356650 (E_RNA)
where:
Base-Base interactions energy: -702.074
where: short stacking energy: -299.156
Base-Backbone interact. energy: 2.126
local terms energy: -305.409544
where:
bonds (distance) C4'-P energy: -55.955
bonds (distance) P-C4' energy: -50.822
flat angles C4'-P-C4' energy: -66.513
flat angles P-C4'-P energy: -52.219
tors. eta vs tors. theta energy: -79.900
Dist. restrs. and SS energy: 3.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -964.705191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.705191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.160567 (E_RNA)
where:
Base-Base interactions energy: -693.213
where: short stacking energy: -263.293
Base-Backbone interact. energy: -2.083
local terms energy: -273.865100
where:
bonds (distance) C4'-P energy: -48.282
bonds (distance) P-C4' energy: -53.937
flat angles C4'-P-C4' energy: -62.831
flat angles P-C4'-P energy: -44.404
tors. eta vs tors. theta energy: -64.410
Dist. restrs. and SS energy: 4.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -877.251251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.251251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.196465 (E_RNA)
where:
Base-Base interactions energy: -617.662
where: short stacking energy: -240.513
Base-Backbone interact. energy: 0.971
local terms energy: -264.505756
where:
bonds (distance) C4'-P energy: -51.240
bonds (distance) P-C4' energy: -50.453
flat angles C4'-P-C4' energy: -58.446
flat angles P-C4'-P energy: -48.173
tors. eta vs tors. theta energy: -56.194
Dist. restrs. and SS energy: 3.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -858.797851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.797851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.417366 (E_RNA)
where:
Base-Base interactions energy: -613.090
where: short stacking energy: -237.248
Base-Backbone interact. energy: -0.905
local terms energy: -249.422775
where:
bonds (distance) C4'-P energy: -42.122
bonds (distance) P-C4' energy: -60.929
flat angles C4'-P-C4' energy: -54.087
flat angles P-C4'-P energy: -36.144
tors. eta vs tors. theta energy: -56.141
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: 1, replica: 9
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1244.521456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.521456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.626029 (E_RNA)
where:
Base-Base interactions energy: -860.222
where: short stacking energy: -369.603
Base-Backbone interact. energy: -3.398
local terms energy: -389.006157
where:
bonds (distance) C4'-P energy: -66.056
bonds (distance) P-C4' energy: -80.749
flat angles C4'-P-C4' energy: -80.643
flat angles P-C4'-P energy: -53.578
tors. eta vs tors. theta energy: -107.980
Dist. restrs. and SS energy: 8.105 (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: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1198.661401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.661401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.610960 (E_RNA)
where:
Base-Base interactions energy: -836.281
where: short stacking energy: -342.455
Base-Backbone interact. energy: -3.512
local terms energy: -361.818177
where:
bonds (distance) C4'-P energy: -68.161
bonds (distance) P-C4' energy: -73.752
flat angles C4'-P-C4' energy: -76.246
flat angles P-C4'-P energy: -47.270
tors. eta vs tors. theta energy: -96.388
Dist. restrs. and SS energy: 2.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1186.939585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.939585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.478673 (E_RNA)
where:
Base-Base interactions energy: -832.005
where: short stacking energy: -339.432
Base-Backbone interact. energy: 0.420
local terms energy: -355.893786
where:
bonds (distance) C4'-P energy: -68.179
bonds (distance) P-C4' energy: -62.082
flat angles C4'-P-C4' energy: -73.202
flat angles P-C4'-P energy: -55.697
tors. eta vs tors. theta energy: -96.734
Dist. restrs. and SS energy: 0.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1141.164133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.164133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.273684 (E_RNA)
where:
Base-Base interactions energy: -796.635
where: short stacking energy: -326.190
Base-Backbone interact. energy: 0.172
local terms energy: -347.811049
where:
bonds (distance) C4'-P energy: -74.979
bonds (distance) P-C4' energy: -63.102
flat angles C4'-P-C4' energy: -70.158
flat angles P-C4'-P energy: -47.247
tors. eta vs tors. theta energy: -92.325
Dist. restrs. and SS energy: 3.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1090.649834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.649834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.046300 (E_RNA)
where:
Base-Base interactions energy: -765.093
where: short stacking energy: -317.063
Base-Backbone interact. energy: -3.138
local terms energy: -331.815122
where:
bonds (distance) C4'-P energy: -69.583
bonds (distance) P-C4' energy: -51.030
flat angles C4'-P-C4' energy: -74.929
flat angles P-C4'-P energy: -44.759
tors. eta vs tors. theta energy: -91.515
Dist. restrs. and SS energy: 9.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1028.859287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.859287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.509564 (E_RNA)
where:
Base-Base interactions energy: -723.561
where: short stacking energy: -284.104
Base-Backbone interact. energy: -1.686
local terms energy: -309.262311
where:
bonds (distance) C4'-P energy: -57.840
bonds (distance) P-C4' energy: -61.769
flat angles C4'-P-C4' energy: -73.336
flat angles P-C4'-P energy: -38.227
tors. eta vs tors. theta energy: -78.091
Dist. restrs. and SS energy: 5.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1045.526188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.526188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.189719 (E_RNA)
where:
Base-Base interactions energy: -738.671
where: short stacking energy: -306.982
Base-Backbone interact. energy: -0.544
local terms energy: -308.974410
where:
bonds (distance) C4'-P energy: -60.472
bonds (distance) P-C4' energy: -60.860
flat angles C4'-P-C4' energy: -71.844
flat angles P-C4'-P energy: -42.313
tors. eta vs tors. theta energy: -73.485
Dist. restrs. and SS energy: 2.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -973.539250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.539250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.872965 (E_RNA)
where:
Base-Base interactions energy: -674.512
where: short stacking energy: -280.296
Base-Backbone interact. energy: 0.550
local terms energy: -303.911103
where:
bonds (distance) C4'-P energy: -66.049
bonds (distance) P-C4' energy: -70.529
flat angles C4'-P-C4' energy: -54.431
flat angles P-C4'-P energy: -37.083
tors. eta vs tors. theta energy: -75.818
Dist. restrs. and SS energy: 4.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -873.190303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.190303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.878127 (E_RNA)
where:
Base-Base interactions energy: -611.323
where: short stacking energy: -238.524
Base-Backbone interact. energy: 0.950
local terms energy: -271.505020
where:
bonds (distance) C4'-P energy: -54.497
bonds (distance) P-C4' energy: -50.877
flat angles C4'-P-C4' energy: -69.306
flat angles P-C4'-P energy: -41.185
tors. eta vs tors. theta energy: -55.639
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: 10, replica: 1
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -881.772897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.772897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.554513 (E_RNA)
where:
Base-Base interactions energy: -631.086
where: short stacking energy: -228.003
Base-Backbone interact. energy: -1.477
local terms energy: -253.992317
where:
bonds (distance) C4'-P energy: -42.956
bonds (distance) P-C4' energy: -47.369
flat angles C4'-P-C4' energy: -74.602
flat angles P-C4'-P energy: -33.827
tors. eta vs tors. theta energy: -55.238
Dist. restrs. and SS energy: 4.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1254.458231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.458231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.148788 (E_RNA)
where:
Base-Base interactions energy: -870.124
where: short stacking energy: -368.479
Base-Backbone interact. energy: -2.160
local terms energy: -387.864275
where:
bonds (distance) C4'-P energy: -73.231
bonds (distance) P-C4' energy: -71.988
flat angles C4'-P-C4' energy: -81.277
flat angles P-C4'-P energy: -60.097
tors. eta vs tors. theta energy: -101.272
Dist. restrs. and SS energy: 5.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1224.735342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.735342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.263851 (E_RNA)
where:
Base-Base interactions energy: -868.602
where: short stacking energy: -345.953
Base-Backbone interact. energy: -0.853
local terms energy: -355.808511
where:
bonds (distance) C4'-P energy: -74.129
bonds (distance) P-C4' energy: -61.845
flat angles C4'-P-C4' energy: -75.971
flat angles P-C4'-P energy: -51.755
tors. eta vs tors. theta energy: -92.109
Dist. restrs. and SS energy: 0.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1191.608830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.608830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.304589 (E_RNA)
where:
Base-Base interactions energy: -825.549
where: short stacking energy: -318.795
Base-Backbone interact. energy: -2.013
local terms energy: -367.742771
where:
bonds (distance) C4'-P energy: -63.930
bonds (distance) P-C4' energy: -78.623
flat angles C4'-P-C4' energy: -77.248
flat angles P-C4'-P energy: -56.884
tors. eta vs tors. theta energy: -91.058
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: 4, replica: 10
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1097.514548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.514548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.789431 (E_RNA)
where:
Base-Base interactions energy: -765.470
where: short stacking energy: -325.476
Base-Backbone interact. energy: -0.217
local terms energy: -336.101987
where:
bonds (distance) C4'-P energy: -68.294
bonds (distance) P-C4' energy: -64.661
flat angles C4'-P-C4' energy: -72.884
flat angles P-C4'-P energy: -49.687
tors. eta vs tors. theta energy: -80.576
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: 5, replica: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1103.391172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.391172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.617715 (E_RNA)
where:
Base-Base interactions energy: -771.764
where: short stacking energy: -326.788
Base-Backbone interact. energy: -0.043
local terms energy: -340.810209
where:
bonds (distance) C4'-P energy: -74.228
bonds (distance) P-C4' energy: -50.630
flat angles C4'-P-C4' energy: -73.240
flat angles P-C4'-P energy: -52.177
tors. eta vs tors. theta energy: -90.534
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: 6, replica: 8
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1015.388305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.388305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.539313 (E_RNA)
where:
Base-Base interactions energy: -705.781
where: short stacking energy: -284.258
Base-Backbone interact. energy: -2.070
local terms energy: -313.688481
where:
bonds (distance) C4'-P energy: -59.682
bonds (distance) P-C4' energy: -63.740
flat angles C4'-P-C4' energy: -69.697
flat angles P-C4'-P energy: -50.054
tors. eta vs tors. theta energy: -70.515
Dist. restrs. and SS energy: 6.151 (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: 3
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -984.344363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.344363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.116556 (E_RNA)
where:
Base-Base interactions energy: -672.569
where: short stacking energy: -270.007
Base-Backbone interact. energy: -1.020
local terms energy: -312.527465
where:
bonds (distance) C4'-P energy: -67.258
bonds (distance) P-C4' energy: -59.124
flat angles C4'-P-C4' energy: -71.524
flat angles P-C4'-P energy: -40.928
tors. eta vs tors. theta energy: -73.695
Dist. restrs. and SS energy: 1.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -950.388123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.388123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.631345 (E_RNA)
where:
Base-Base interactions energy: -663.595
where: short stacking energy: -277.594
Base-Backbone interact. energy: -1.553
local terms energy: -291.483562
where:
bonds (distance) C4'-P energy: -51.617
bonds (distance) P-C4' energy: -54.621
flat angles C4'-P-C4' energy: -67.466
flat angles P-C4'-P energy: -40.815
tors. eta vs tors. theta energy: -76.965
Dist. restrs. and SS energy: 6.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -879.184867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.184867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.433980 (E_RNA)
where:
Base-Base interactions energy: -614.578
where: short stacking energy: -222.549
Base-Backbone interact. energy: -0.496
local terms energy: -269.360000
where:
bonds (distance) C4'-P energy: -41.455
bonds (distance) P-C4' energy: -59.852
flat angles C4'-P-C4' energy: -64.482
flat angles P-C4'-P energy: -38.595
tors. eta vs tors. theta energy: -64.976
Dist. restrs. and SS energy: 5.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -866.643685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.643685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.790789 (E_RNA)
where:
Base-Base interactions energy: -609.838
where: short stacking energy: -238.071
Base-Backbone interact. energy: -2.214
local terms energy: -258.739057
where:
bonds (distance) C4'-P energy: -37.707
bonds (distance) P-C4' energy: -62.588
flat angles C4'-P-C4' energy: -57.178
flat angles P-C4'-P energy: -46.488
tors. eta vs tors. theta energy: -54.778
Dist. restrs. and SS energy: 4.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1263.669518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.669518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.581720 (E_RNA)
where:
Base-Base interactions energy: -883.398
where: short stacking energy: -367.957
Base-Backbone interact. energy: -0.645
local terms energy: -386.538622
where:
bonds (distance) C4'-P energy: -72.735
bonds (distance) P-C4' energy: -77.924
flat angles C4'-P-C4' energy: -77.079
flat angles P-C4'-P energy: -49.632
tors. eta vs tors. theta energy: -109.168
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: 2, replica: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1234.501670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.501670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.307119 (E_RNA)
where:
Base-Base interactions energy: -860.499
where: short stacking energy: -349.972
Base-Backbone interact. energy: -2.943
local terms energy: -373.865785
where:
bonds (distance) C4'-P energy: -62.478
bonds (distance) P-C4' energy: -74.075
flat angles C4'-P-C4' energy: -79.234
flat angles P-C4'-P energy: -58.567
tors. eta vs tors. theta energy: -99.512
Dist. restrs. and SS energy: 2.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1167.161471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.161471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.610371 (E_RNA)
where:
Base-Base interactions energy: -817.110
where: short stacking energy: -349.613
Base-Backbone interact. energy: -1.912
local terms energy: -353.588729
where:
bonds (distance) C4'-P energy: -63.487
bonds (distance) P-C4' energy: -69.322
flat angles C4'-P-C4' energy: -75.660
flat angles P-C4'-P energy: -50.744
tors. eta vs tors. theta energy: -94.376
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: 4, replica: 10
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1078.981886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.981886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.058363 (E_RNA)
where:
Base-Base interactions energy: -731.717
where: short stacking energy: -303.409
Base-Backbone interact. energy: -1.408
local terms energy: -350.933550
where:
bonds (distance) C4'-P energy: -63.108
bonds (distance) P-C4' energy: -71.171
flat angles C4'-P-C4' energy: -73.380
flat angles P-C4'-P energy: -59.612
tors. eta vs tors. theta energy: -83.662
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: 5, replica: 6
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1084.753525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.753525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.571656 (E_RNA)
where:
Base-Base interactions energy: -771.564
where: short stacking energy: -314.643
Base-Backbone interact. energy: -0.663
local terms energy: -323.345306
where:
bonds (distance) C4'-P energy: -52.890
bonds (distance) P-C4' energy: -57.225
flat angles C4'-P-C4' energy: -72.444
flat angles P-C4'-P energy: -55.109
tors. eta vs tors. theta energy: -85.677
Dist. restrs. and SS energy: 10.818 (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: 8
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1029.055498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.055498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.342221 (E_RNA)
where:
Base-Base interactions energy: -729.608
where: short stacking energy: -297.674
Base-Backbone interact. energy: -2.913
local terms energy: -300.821635
where:
bonds (distance) C4'-P energy: -50.079
bonds (distance) P-C4' energy: -57.243
flat angles C4'-P-C4' energy: -71.023
flat angles P-C4'-P energy: -51.280
tors. eta vs tors. theta energy: -71.196
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: 3
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -991.699088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.699088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.904063 (E_RNA)
where:
Base-Base interactions energy: -697.198
where: short stacking energy: -272.236
Base-Backbone interact. energy: -1.179
local terms energy: -297.526616
where:
bonds (distance) C4'-P energy: -63.540
bonds (distance) P-C4' energy: -50.989
flat angles C4'-P-C4' energy: -67.302
flat angles P-C4'-P energy: -47.018
tors. eta vs tors. theta energy: -68.678
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: 7
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -944.742266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.742266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.504776 (E_RNA)
where:
Base-Base interactions energy: -657.602
where: short stacking energy: -245.310
Base-Backbone interact. energy: 2.594
local terms energy: -301.496180
where:
bonds (distance) C4'-P energy: -61.307
bonds (distance) P-C4' energy: -59.554
flat angles C4'-P-C4' energy: -67.316
flat angles P-C4'-P energy: -49.848
tors. eta vs tors. theta energy: -63.471
Dist. restrs. and SS energy: 11.763 (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: 1
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -906.213183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.213183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.936163 (E_RNA)
where:
Base-Base interactions energy: -642.158
where: short stacking energy: -248.681
Base-Backbone interact. energy: -1.373
local terms energy: -274.405009
where:
bonds (distance) C4'-P energy: -51.669
bonds (distance) P-C4' energy: -61.318
flat angles C4'-P-C4' energy: -68.159
flat angles P-C4'-P energy: -40.300
tors. eta vs tors. theta energy: -52.959
Dist. restrs. and SS energy: 11.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -878.133689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.133689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.473596 (E_RNA)
where:
Base-Base interactions energy: -614.192
where: short stacking energy: -246.463
Base-Backbone interact. energy: -1.657
local terms energy: -267.625118
where:
bonds (distance) C4'-P energy: -57.518
bonds (distance) P-C4' energy: -52.405
flat angles C4'-P-C4' energy: -57.356
flat angles P-C4'-P energy: -38.013
tors. eta vs tors. theta energy: -62.333
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: 1, replica: 9
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1267.578622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.578622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.264242 (E_RNA)
where:
Base-Base interactions energy: -873.000
where: short stacking energy: -377.839
Base-Backbone interact. energy: -3.108
local terms energy: -397.156763
where:
bonds (distance) C4'-P energy: -74.360
bonds (distance) P-C4' energy: -79.765
flat angles C4'-P-C4' energy: -73.613
flat angles P-C4'-P energy: -55.001
tors. eta vs tors. theta energy: -114.417
Dist. restrs. and SS energy: 5.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1215.022095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.022095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.391489 (E_RNA)
where:
Base-Base interactions energy: -841.395
where: short stacking energy: -338.626
Base-Backbone interact. energy: -2.371
local terms energy: -373.625960
where:
bonds (distance) C4'-P energy: -63.956
bonds (distance) P-C4' energy: -71.353
flat angles C4'-P-C4' energy: -77.989
flat angles P-C4'-P energy: -55.539
tors. eta vs tors. theta energy: -104.789
Dist. restrs. and SS energy: 2.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1189.872197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.872197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.926498 (E_RNA)
where:
Base-Base interactions energy: -830.548
where: short stacking energy: -354.468
Base-Backbone interact. energy: -2.132
local terms energy: -360.245914
where:
bonds (distance) C4'-P energy: -69.728
bonds (distance) P-C4' energy: -66.011
flat angles C4'-P-C4' energy: -76.502
flat angles P-C4'-P energy: -41.511
tors. eta vs tors. theta energy: -106.493
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: 6
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1093.864010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.864010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.633919 (E_RNA)
where:
Base-Base interactions energy: -770.105
where: short stacking energy: -334.427
Base-Backbone interact. energy: 0.282
local terms energy: -331.811443
where:
bonds (distance) C4'-P energy: -54.769
bonds (distance) P-C4' energy: -69.238
flat angles C4'-P-C4' energy: -70.370
flat angles P-C4'-P energy: -47.230
tors. eta vs tors. theta energy: -90.205
Dist. restrs. and SS energy: 7.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1055.086021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.086021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.015281 (E_RNA)
where:
Base-Base interactions energy: -738.635
where: short stacking energy: -286.477
Base-Backbone interact. energy: -0.786
local terms energy: -319.594246
where:
bonds (distance) C4'-P energy: -59.883
bonds (distance) P-C4' energy: -58.844
flat angles C4'-P-C4' energy: -76.316
flat angles P-C4'-P energy: -48.599
tors. eta vs tors. theta energy: -75.952
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: 317
Temperature: 1.150000
Total energy: -1029.304369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.304369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.821869 (E_RNA)
where:
Base-Base interactions energy: -705.531
where: short stacking energy: -271.272
Base-Backbone interact. energy: -2.291
local terms energy: -324.999768
where:
bonds (distance) C4'-P energy: -67.915
bonds (distance) P-C4' energy: -74.203
flat angles C4'-P-C4' energy: -56.311
flat angles P-C4'-P energy: -54.420
tors. eta vs tors. theta energy: -72.150
Dist. restrs. and SS energy: 3.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -975.635032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.635032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.100641 (E_RNA)
where:
Base-Base interactions energy: -684.457
where: short stacking energy: -287.071
Base-Backbone interact. energy: 3.781
local terms energy: -299.425201
where:
bonds (distance) C4'-P energy: -50.550
bonds (distance) P-C4' energy: -55.960
flat angles C4'-P-C4' energy: -70.889
flat angles P-C4'-P energy: -47.582
tors. eta vs tors. theta energy: -74.443
Dist. restrs. and SS energy: 4.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -939.364088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.364088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.660854 (E_RNA)
where:
Base-Base interactions energy: -664.750
where: short stacking energy: -260.917
Base-Backbone interact. energy: 1.695
local terms energy: -282.605724
where:
bonds (distance) C4'-P energy: -55.362
bonds (distance) P-C4' energy: -67.110
flat angles C4'-P-C4' energy: -61.852
flat angles P-C4'-P energy: -36.137
tors. eta vs tors. theta energy: -62.144
Dist. restrs. and SS energy: 6.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -903.354656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.354656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.793858 (E_RNA)
where:
Base-Base interactions energy: -631.975
where: short stacking energy: -261.918
Base-Backbone interact. energy: -0.724
local terms energy: -275.094789
where:
bonds (distance) C4'-P energy: -61.891
bonds (distance) P-C4' energy: -59.312
flat angles C4'-P-C4' energy: -56.208
flat angles P-C4'-P energy: -32.941
tors. eta vs tors. theta energy: -64.743
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: 10, replica: 5
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -846.984502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.984502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.714968 (E_RNA)
where:
Base-Base interactions energy: -594.772
where: short stacking energy: -225.595
Base-Backbone interact. energy: 0.540
local terms energy: -261.483060
where:
bonds (distance) C4'-P energy: -43.002
bonds (distance) P-C4' energy: -65.937
flat angles C4'-P-C4' energy: -58.107
flat angles P-C4'-P energy: -40.196
tors. eta vs tors. theta energy: -54.242
Dist. restrs. and SS energy: 8.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1254.933583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.933583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.700659 (E_RNA)
where:
Base-Base interactions energy: -895.826
where: short stacking energy: -376.414
Base-Backbone interact. energy: 1.668
local terms energy: -365.542766
where:
bonds (distance) C4'-P energy: -75.233
bonds (distance) P-C4' energy: -63.551
flat angles C4'-P-C4' energy: -71.232
flat angles P-C4'-P energy: -53.142
tors. eta vs tors. theta energy: -102.385
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: 2, replica: 4
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1208.187010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.187010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.345531 (E_RNA)
where:
Base-Base interactions energy: -852.518
where: short stacking energy: -346.027
Base-Backbone interact. energy: -0.418
local terms energy: -358.409464
where:
bonds (distance) C4'-P energy: -69.819
bonds (distance) P-C4' energy: -66.128
flat angles C4'-P-C4' energy: -72.629
flat angles P-C4'-P energy: -50.626
tors. eta vs tors. theta energy: -99.207
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: 2
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1169.660063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.660063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.378328 (E_RNA)
where:
Base-Base interactions energy: -814.922
where: short stacking energy: -329.341
Base-Backbone interact. energy: 1.799
local terms energy: -360.255464
where:
bonds (distance) C4'-P energy: -70.930
bonds (distance) P-C4' energy: -71.909
flat angles C4'-P-C4' energy: -70.802
flat angles P-C4'-P energy: -52.476
tors. eta vs tors. theta energy: -94.139
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: 4, replica: 6
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1121.691787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.691787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.862195 (E_RNA)
where:
Base-Base interactions energy: -794.237
where: short stacking energy: -338.610
Base-Backbone interact. energy: 1.843
local terms energy: -339.468422
where:
bonds (distance) C4'-P energy: -49.518
bonds (distance) P-C4' energy: -63.502
flat angles C4'-P-C4' energy: -78.143
flat angles P-C4'-P energy: -53.510
tors. eta vs tors. theta energy: -94.795
Dist. restrs. and SS energy: 10.170 (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: 8
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1050.699568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.699568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.616348 (E_RNA)
where:
Base-Base interactions energy: -725.750
where: short stacking energy: -303.187
Base-Backbone interact. energy: -1.377
local terms energy: -324.489198
where:
bonds (distance) C4'-P energy: -60.871
bonds (distance) P-C4' energy: -64.958
flat angles C4'-P-C4' energy: -73.748
flat angles P-C4'-P energy: -37.309
tors. eta vs tors. theta energy: -87.604
Dist. restrs. and SS energy: 0.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1057.135100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.135100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.209739 (E_RNA)
where:
Base-Base interactions energy: -743.975
where: short stacking energy: -300.616
Base-Backbone interact. energy: 0.634
local terms energy: -318.869399
where:
bonds (distance) C4'-P energy: -50.828
bonds (distance) P-C4' energy: -60.722
flat angles C4'-P-C4' energy: -69.543
flat angles P-C4'-P energy: -47.664
tors. eta vs tors. theta energy: -90.111
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: 7, replica: 3
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -972.097608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.097608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.799435 (E_RNA)
where:
Base-Base interactions energy: -664.557
where: short stacking energy: -269.875
Base-Backbone interact. energy: -1.178
local terms energy: -311.063894
where:
bonds (distance) C4'-P energy: -62.665
bonds (distance) P-C4' energy: -49.018
flat angles C4'-P-C4' energy: -77.488
flat angles P-C4'-P energy: -41.969
tors. eta vs tors. theta energy: -79.924
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: 7
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -941.617286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.617286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.166426 (E_RNA)
where:
Base-Base interactions energy: -650.947
where: short stacking energy: -271.112
Base-Backbone interact. energy: -0.578
local terms energy: -293.641309
where:
bonds (distance) C4'-P energy: -59.218
bonds (distance) P-C4' energy: -59.038
flat angles C4'-P-C4' energy: -63.464
flat angles P-C4'-P energy: -41.141
tors. eta vs tors. theta energy: -70.780
Dist. restrs. and SS energy: 3.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -846.671298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.671298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.714138 (E_RNA)
where:
Base-Base interactions energy: -590.896
where: short stacking energy: -222.348
Base-Backbone interact. energy: -1.109
local terms energy: -260.709091
where:
bonds (distance) C4'-P energy: -59.559
bonds (distance) P-C4' energy: -53.230
flat angles C4'-P-C4' energy: -61.332
flat angles P-C4'-P energy: -36.533
tors. eta vs tors. theta energy: -50.055
Dist. restrs. and SS energy: 6.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -865.348687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.348687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.416963 (E_RNA)
where:
Base-Base interactions energy: -606.188
where: short stacking energy: -232.629
Base-Backbone interact. energy: 2.639
local terms energy: -266.868562
where:
bonds (distance) C4'-P energy: -56.184
bonds (distance) P-C4' energy: -58.566
flat angles C4'-P-C4' energy: -65.669
flat angles P-C4'-P energy: -25.945
tors. eta vs tors. theta energy: -60.504
Dist. restrs. and SS energy: 5.068 (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: 9
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1256.834448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.834448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.119628 (E_RNA)
where:
Base-Base interactions energy: -877.256
where: short stacking energy: -369.731
Base-Backbone interact. energy: -0.752
local terms energy: -385.111766
where:
bonds (distance) C4'-P energy: -65.489
bonds (distance) P-C4' energy: -82.912
flat angles C4'-P-C4' energy: -82.550
flat angles P-C4'-P energy: -47.727
tors. eta vs tors. theta energy: -106.434
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: 2, replica: 4
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1210.053791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.053791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.025530 (E_RNA)
where:
Base-Base interactions energy: -838.729
where: short stacking energy: -334.555
Base-Backbone interact. energy: -1.947
local terms energy: -372.349162
where:
bonds (distance) C4'-P energy: -66.985
bonds (distance) P-C4' energy: -73.975
flat angles C4'-P-C4' energy: -77.642
flat angles P-C4'-P energy: -47.364
tors. eta vs tors. theta energy: -106.384
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: 3, replica: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1174.482653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.482653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.810057 (E_RNA)
where:
Base-Base interactions energy: -824.043
where: short stacking energy: -324.473
Base-Backbone interact. energy: 0.517
local terms energy: -354.283977
where:
bonds (distance) C4'-P energy: -66.706
bonds (distance) P-C4' energy: -71.582
flat angles C4'-P-C4' energy: -69.030
flat angles P-C4'-P energy: -56.013
tors. eta vs tors. theta energy: -90.954
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: 4, replica: 6
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1094.185294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.185294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.967345 (E_RNA)
where:
Base-Base interactions energy: -771.053
where: short stacking energy: -313.654
Base-Backbone interact. energy: -2.663
local terms energy: -329.250849
where:
bonds (distance) C4'-P energy: -48.767
bonds (distance) P-C4' energy: -76.418
flat angles C4'-P-C4' energy: -67.446
flat angles P-C4'-P energy: -43.600
tors. eta vs tors. theta energy: -93.021
Dist. restrs. and SS energy: 8.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1055.574895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.574895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.678657 (E_RNA)
where:
Base-Base interactions energy: -732.219
where: short stacking energy: -301.549
Base-Backbone interact. energy: -0.624
local terms energy: -323.835375
where:
bonds (distance) C4'-P energy: -55.648
bonds (distance) P-C4' energy: -73.242
flat angles C4'-P-C4' energy: -78.228
flat angles P-C4'-P energy: -43.807
tors. eta vs tors. theta energy: -72.910
Dist. restrs. and SS energy: 1.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1051.957492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.957492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.763154 (E_RNA)
where:
Base-Base interactions energy: -729.284
where: short stacking energy: -310.792
Base-Backbone interact. energy: 1.337
local terms energy: -326.816132
where:
bonds (distance) C4'-P energy: -64.503
bonds (distance) P-C4' energy: -62.335
flat angles C4'-P-C4' energy: -78.742
flat angles P-C4'-P energy: -34.162
tors. eta vs tors. theta energy: -87.073
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: 7, replica: 3
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -995.409961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.409961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.811613 (E_RNA)
where:
Base-Base interactions energy: -702.752
where: short stacking energy: -273.246
Base-Backbone interact. energy: 0.306
local terms energy: -297.365075
where:
bonds (distance) C4'-P energy: -60.553
bonds (distance) P-C4' energy: -53.807
flat angles C4'-P-C4' energy: -71.525
flat angles P-C4'-P energy: -40.093
tors. eta vs tors. theta energy: -71.388
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: 8, replica: 5
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -889.916559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.916559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.450686 (E_RNA)
where:
Base-Base interactions energy: -591.003
where: short stacking energy: -240.302
Base-Backbone interact. energy: -0.909
local terms energy: -307.538375
where:
bonds (distance) C4'-P energy: -67.353
bonds (distance) P-C4' energy: -68.897
flat angles C4'-P-C4' energy: -71.343
flat angles P-C4'-P energy: -46.672
tors. eta vs tors. theta energy: -53.273
Dist. restrs. and SS energy: 9.534 (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: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -923.464866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.464866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.111343 (E_RNA)
where:
Base-Base interactions energy: -647.775
where: short stacking energy: -261.174
Base-Backbone interact. energy: -2.139
local terms energy: -274.197440
where:
bonds (distance) C4'-P energy: -33.545
bonds (distance) P-C4' energy: -62.585
flat angles C4'-P-C4' energy: -65.658
flat angles P-C4'-P energy: -48.209
tors. eta vs tors. theta energy: -64.200
Dist. restrs. and SS energy: 0.646 (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: 1
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -876.787982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.787982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.681732 (E_RNA)
where:
Base-Base interactions energy: -624.242
where: short stacking energy: -223.871
Base-Backbone interact. energy: -1.241
local terms energy: -255.198082
where:
bonds (distance) C4'-P energy: -50.863
bonds (distance) P-C4' energy: -52.690
flat angles C4'-P-C4' energy: -64.803
flat angles P-C4'-P energy: -39.550
tors. eta vs tors. theta energy: -47.292
Dist. restrs. and SS energy: 3.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1265.652942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.652942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.888312 (E_RNA)
where:
Base-Base interactions energy: -877.715
where: short stacking energy: -336.497
Base-Backbone interact. energy: -3.713
local terms energy: -390.460093
where:
bonds (distance) C4'-P energy: -69.263
bonds (distance) P-C4' energy: -78.012
flat angles C4'-P-C4' energy: -78.867
flat angles P-C4'-P energy: -58.432
tors. eta vs tors. theta energy: -105.886
Dist. restrs. and SS energy: 6.235 (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: 320
Temperature: 0.950000
Total energy: -1205.814440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.814440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.360500 (E_RNA)
where:
Base-Base interactions energy: -841.982
where: short stacking energy: -346.449
Base-Backbone interact. energy: 0.257
local terms energy: -367.635274
where:
bonds (distance) C4'-P energy: -61.308
bonds (distance) P-C4' energy: -75.114
flat angles C4'-P-C4' energy: -78.046
flat angles P-C4'-P energy: -52.177
tors. eta vs tors. theta energy: -100.991
Dist. restrs. and SS energy: 3.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1123.008694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.008694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.923639 (E_RNA)
where:
Base-Base interactions energy: -782.810
where: short stacking energy: -329.788
Base-Backbone interact. energy: 0.194
local terms energy: -350.307872
where:
bonds (distance) C4'-P energy: -68.819
bonds (distance) P-C4' energy: -69.251
flat angles C4'-P-C4' energy: -73.092
flat angles P-C4'-P energy: -51.368
tors. eta vs tors. theta energy: -87.779
Dist. restrs. and SS energy: 9.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1129.773463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.773463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.876075 (E_RNA)
where:
Base-Base interactions energy: -797.338
where: short stacking energy: -326.201
Base-Backbone interact. energy: 2.106
local terms energy: -337.644161
where:
bonds (distance) C4'-P energy: -65.605
bonds (distance) P-C4' energy: -58.306
flat angles C4'-P-C4' energy: -76.030
flat angles P-C4'-P energy: -47.645
tors. eta vs tors. theta energy: -90.058
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: 5, replica: 10
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1076.965206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.965206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.157092 (E_RNA)
where:
Base-Base interactions energy: -754.377
where: short stacking energy: -301.893
Base-Backbone interact. energy: 1.502
local terms energy: -327.281401
where:
bonds (distance) C4'-P energy: -65.438
bonds (distance) P-C4' energy: -61.904
flat angles C4'-P-C4' energy: -78.944
flat angles P-C4'-P energy: -42.231
tors. eta vs tors. theta energy: -78.764
Dist. restrs. and SS energy: 3.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1016.172180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.172180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.246278 (E_RNA)
where:
Base-Base interactions energy: -727.738
where: short stacking energy: -277.127
Base-Backbone interact. energy: 1.122
local terms energy: -293.630540
where:
bonds (distance) C4'-P energy: -66.777
bonds (distance) P-C4' energy: -61.527
flat angles C4'-P-C4' energy: -63.487
flat angles P-C4'-P energy: -39.559
tors. eta vs tors. theta energy: -62.282
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: 7, replica: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -974.975752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.975752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.185582 (E_RNA)
where:
Base-Base interactions energy: -683.337
where: short stacking energy: -273.921
Base-Backbone interact. energy: -2.341
local terms energy: -292.507450
where:
bonds (distance) C4'-P energy: -55.700
bonds (distance) P-C4' energy: -60.826
flat angles C4'-P-C4' energy: -63.617
flat angles P-C4'-P energy: -46.684
tors. eta vs tors. theta energy: -65.680
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: 8, replica: 5
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -899.609235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.609235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.091702 (E_RNA)
where:
Base-Base interactions energy: -624.753
where: short stacking energy: -259.290
Base-Backbone interact. energy: -0.359
local terms energy: -278.980057
where:
bonds (distance) C4'-P energy: -64.344
bonds (distance) P-C4' energy: -59.064
flat angles C4'-P-C4' energy: -57.856
flat angles P-C4'-P energy: -40.265
tors. eta vs tors. theta energy: -57.451
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: 9, replica: 1
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -884.279975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.279975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.745895 (E_RNA)
where:
Base-Base interactions energy: -614.028
where: short stacking energy: -223.860
Base-Backbone interact. energy: -0.042
local terms energy: -278.676618
where:
bonds (distance) C4'-P energy: -61.173
bonds (distance) P-C4' energy: -60.025
flat angles C4'-P-C4' energy: -64.579
flat angles P-C4'-P energy: -34.232
tors. eta vs tors. theta energy: -58.668
Dist. restrs. and SS energy: 8.466 (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: 7
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -880.443557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.443557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.912495 (E_RNA)
where:
Base-Base interactions energy: -610.515
where: short stacking energy: -247.657
Base-Backbone interact. energy: -1.993
local terms energy: -272.404807
where:
bonds (distance) C4'-P energy: -49.501
bonds (distance) P-C4' energy: -67.671
flat angles C4'-P-C4' energy: -62.359
flat angles P-C4'-P energy: -36.709
tors. eta vs tors. theta energy: -56.166
Dist. restrs. and SS energy: 4.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1269.080260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.080260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.400948 (E_RNA)
where:
Base-Base interactions energy: -901.937
where: short stacking energy: -352.435
Base-Backbone interact. energy: -2.349
local terms energy: -371.114332
where:
bonds (distance) C4'-P energy: -64.728
bonds (distance) P-C4' energy: -71.228
flat angles C4'-P-C4' energy: -71.392
flat angles P-C4'-P energy: -61.839
tors. eta vs tors. theta energy: -101.927
Dist. restrs. and SS energy: 6.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1224.576738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.576738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.528917 (E_RNA)
where:
Base-Base interactions energy: -848.841
where: short stacking energy: -343.731
Base-Backbone interact. energy: 0.302
local terms energy: -378.989904
where:
bonds (distance) C4'-P energy: -73.012
bonds (distance) P-C4' energy: -75.806
flat angles C4'-P-C4' energy: -77.277
flat angles P-C4'-P energy: -51.239
tors. eta vs tors. theta energy: -101.656
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: 3, replica: 6
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1143.110131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.110131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.862209 (E_RNA)
where:
Base-Base interactions energy: -794.445
where: short stacking energy: -347.525
Base-Backbone interact. energy: -1.686
local terms energy: -353.731292
where:
bonds (distance) C4'-P energy: -62.479
bonds (distance) P-C4' energy: -60.392
flat angles C4'-P-C4' energy: -82.902
flat angles P-C4'-P energy: -49.681
tors. eta vs tors. theta energy: -98.277
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: 4, replica: 2
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1148.470174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.470174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.086991 (E_RNA)
where:
Base-Base interactions energy: -792.647
where: short stacking energy: -317.449
Base-Backbone interact. energy: -0.957
local terms energy: -358.483164
where:
bonds (distance) C4'-P energy: -64.834
bonds (distance) P-C4' energy: -64.887
flat angles C4'-P-C4' energy: -74.613
flat angles P-C4'-P energy: -56.450
tors. eta vs tors. theta energy: -97.699
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: 5, replica: 10
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1074.312798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.312798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.061804 (E_RNA)
where:
Base-Base interactions energy: -730.885
where: short stacking energy: -309.051
Base-Backbone interact. energy: -0.596
local terms energy: -345.580560
where:
bonds (distance) C4'-P energy: -69.555
bonds (distance) P-C4' energy: -63.733
flat angles C4'-P-C4' energy: -76.116
flat angles P-C4'-P energy: -46.290
tors. eta vs tors. theta energy: -89.887
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: 6, replica: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1018.810721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.810721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.635793 (E_RNA)
where:
Base-Base interactions energy: -705.065
where: short stacking energy: -295.265
Base-Backbone interact. energy: -1.600
local terms energy: -313.970413
where:
bonds (distance) C4'-P energy: -67.371
bonds (distance) P-C4' energy: -59.172
flat angles C4'-P-C4' energy: -66.730
flat angles P-C4'-P energy: -44.225
tors. eta vs tors. theta energy: -76.473
Dist. restrs. and SS energy: 1.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1008.095202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.095202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.636073 (E_RNA)
where:
Base-Base interactions energy: -729.205
where: short stacking energy: -293.214
Base-Backbone interact. energy: 4.297
local terms energy: -288.728039
where:
bonds (distance) C4'-P energy: -52.300
bonds (distance) P-C4' energy: -58.756
flat angles C4'-P-C4' energy: -58.175
flat angles P-C4'-P energy: -39.952
tors. eta vs tors. theta energy: -79.545
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: 8, replica: 1
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -920.601131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.601131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.622810 (E_RNA)
where:
Base-Base interactions energy: -644.957
where: short stacking energy: -260.062
Base-Backbone interact. energy: -2.009
local terms energy: -277.657250
where:
bonds (distance) C4'-P energy: -62.451
bonds (distance) P-C4' energy: -56.188
flat angles C4'-P-C4' energy: -61.850
flat angles P-C4'-P energy: -32.714
tors. eta vs tors. theta energy: -64.454
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: 9, replica: 5
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -889.940646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.940646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.370240 (E_RNA)
where:
Base-Base interactions energy: -621.161
where: short stacking energy: -252.292
Base-Backbone interact. energy: -1.966
local terms energy: -274.243175
where:
bonds (distance) C4'-P energy: -48.394
bonds (distance) P-C4' energy: -58.604
flat angles C4'-P-C4' energy: -59.390
flat angles P-C4'-P energy: -37.930
tors. eta vs tors. theta energy: -69.925
Dist. restrs. and SS energy: 7.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -864.002132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.002132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.144193 (E_RNA)
where:
Base-Base interactions energy: -602.498
where: short stacking energy: -242.826
Base-Backbone interact. energy: -2.043
local terms energy: -270.603695
where:
bonds (distance) C4'-P energy: -55.679
bonds (distance) P-C4' energy: -47.790
flat angles C4'-P-C4' energy: -59.804
flat angles P-C4'-P energy: -40.983
tors. eta vs tors. theta energy: -66.347
Dist. restrs. and SS energy: 11.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1246.465394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.465394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.795313 (E_RNA)
where:
Base-Base interactions energy: -874.378
where: short stacking energy: -352.930
Base-Backbone interact. energy: 0.489
local terms energy: -379.906706
where:
bonds (distance) C4'-P energy: -69.177
bonds (distance) P-C4' energy: -71.097
flat angles C4'-P-C4' energy: -76.715
flat angles P-C4'-P energy: -56.099
tors. eta vs tors. theta energy: -106.819
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: 2, replica: 4
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1199.044006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.044006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.108509 (E_RNA)
where:
Base-Base interactions energy: -834.226
where: short stacking energy: -343.187
Base-Backbone interact. energy: 0.938
local terms energy: -368.820574
where:
bonds (distance) C4'-P energy: -66.308
bonds (distance) P-C4' energy: -69.861
flat angles C4'-P-C4' energy: -78.852
flat angles P-C4'-P energy: -55.292
tors. eta vs tors. theta energy: -98.508
Dist. restrs. and SS energy: 3.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1178.103107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.103107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.908448 (E_RNA)
where:
Base-Base interactions energy: -818.790
where: short stacking energy: -351.074
Base-Backbone interact. energy: -1.297
local terms energy: -360.821331
where:
bonds (distance) C4'-P energy: -54.900
bonds (distance) P-C4' energy: -71.783
flat angles C4'-P-C4' energy: -82.193
flat angles P-C4'-P energy: -48.555
tors. eta vs tors. theta energy: -103.390
Dist. restrs. and SS energy: 2.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1123.352228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.352228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.587120 (E_RNA)
where:
Base-Base interactions energy: -784.602
where: short stacking energy: -319.049
Base-Backbone interact. energy: -3.209
local terms energy: -346.776496
where:
bonds (distance) C4'-P energy: -69.619
bonds (distance) P-C4' energy: -70.364
flat angles C4'-P-C4' energy: -73.694
flat angles P-C4'-P energy: -44.155
tors. eta vs tors. theta energy: -88.944
Dist. restrs. and SS energy: 11.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1078.611990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.611990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.265798 (E_RNA)
where:
Base-Base interactions energy: -752.001
where: short stacking energy: -285.691
Base-Backbone interact. energy: 0.274
local terms energy: -330.539244
where:
bonds (distance) C4'-P energy: -55.583
bonds (distance) P-C4' energy: -69.913
flat angles C4'-P-C4' energy: -64.980
flat angles P-C4'-P energy: -52.020
tors. eta vs tors. theta energy: -88.043
Dist. restrs. and SS energy: 3.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1003.510999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.510999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.706644 (E_RNA)
where:
Base-Base interactions energy: -701.752
where: short stacking energy: -274.612
Base-Backbone interact. energy: 0.311
local terms energy: -303.266025
where:
bonds (distance) C4'-P energy: -56.871
bonds (distance) P-C4' energy: -60.656
flat angles C4'-P-C4' energy: -61.450
flat angles P-C4'-P energy: -55.777
tors. eta vs tors. theta energy: -68.512
Dist. restrs. and SS energy: 1.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -992.794601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.794601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.438908 (E_RNA)
where:
Base-Base interactions energy: -728.547
where: short stacking energy: -283.517
Base-Backbone interact. energy: -1.684
local terms energy: -265.208138
where:
bonds (distance) C4'-P energy: -45.087
bonds (distance) P-C4' energy: -47.113
flat angles C4'-P-C4' energy: -63.713
flat angles P-C4'-P energy: -45.929
tors. eta vs tors. theta energy: -63.367
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: 8, replica: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -922.509032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.509032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.373134 (E_RNA)
where:
Base-Base interactions energy: -645.143
where: short stacking energy: -250.838
Base-Backbone interact. energy: -1.938
local terms energy: -280.292186
where:
bonds (distance) C4'-P energy: -47.142
bonds (distance) P-C4' energy: -57.302
flat angles C4'-P-C4' energy: -64.916
flat angles P-C4'-P energy: -44.293
tors. eta vs tors. theta energy: -66.639
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: 9, replica: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -881.012983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.012983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.943168 (E_RNA)
where:
Base-Base interactions energy: -603.544
where: short stacking energy: -248.365
Base-Backbone interact. energy: 0.570
local terms energy: -285.969325
where:
bonds (distance) C4'-P energy: -49.092
bonds (distance) P-C4' energy: -61.164
flat angles C4'-P-C4' energy: -64.745
flat angles P-C4'-P energy: -43.043
tors. eta vs tors. theta energy: -67.925
Dist. restrs. and SS energy: 7.930 (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: 5
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -836.597836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.597836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.541799 (E_RNA)
where:
Base-Base interactions energy: -588.556
where: short stacking energy: -223.042
Base-Backbone interact. energy: 2.566
local terms energy: -261.552535
where:
bonds (distance) C4'-P energy: -66.416
bonds (distance) P-C4' energy: -57.557
flat angles C4'-P-C4' energy: -54.517
flat angles P-C4'-P energy: -25.774
tors. eta vs tors. theta energy: -57.289
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: 1, replica: 9
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1255.738255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.738255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.969832 (E_RNA)
where:
Base-Base interactions energy: -872.691
where: short stacking energy: -354.199
Base-Backbone interact. energy: -2.408
local terms energy: -388.870151
where:
bonds (distance) C4'-P energy: -63.995
bonds (distance) P-C4' energy: -83.581
flat angles C4'-P-C4' energy: -73.831
flat angles P-C4'-P energy: -59.423
tors. eta vs tors. theta energy: -108.040
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: 2, replica: 4
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1198.909140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.909140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.352240 (E_RNA)
where:
Base-Base interactions energy: -818.683
where: short stacking energy: -349.680
Base-Backbone interact. energy: -0.785
local terms energy: -382.883927
where:
bonds (distance) C4'-P energy: -65.495
bonds (distance) P-C4' energy: -78.322
flat angles C4'-P-C4' energy: -83.035
flat angles P-C4'-P energy: -60.998
tors. eta vs tors. theta energy: -95.035
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: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1177.058689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.058689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.750651 (E_RNA)
where:
Base-Base interactions energy: -820.791
where: short stacking energy: -332.417
Base-Backbone interact. energy: 0.040
local terms energy: -358.999558
where:
bonds (distance) C4'-P energy: -70.459
bonds (distance) P-C4' energy: -63.907
flat angles C4'-P-C4' energy: -77.804
flat angles P-C4'-P energy: -48.616
tors. eta vs tors. theta energy: -98.213
Dist. restrs. and SS energy: 2.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1121.095912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.095912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.110676 (E_RNA)
where:
Base-Base interactions energy: -777.864
where: short stacking energy: -326.531
Base-Backbone interact. energy: -2.787
local terms energy: -345.460192
where:
bonds (distance) C4'-P energy: -61.159
bonds (distance) P-C4' energy: -75.440
flat angles C4'-P-C4' energy: -67.665
flat angles P-C4'-P energy: -48.526
tors. eta vs tors. theta energy: -92.671
Dist. restrs. and SS energy: 5.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1076.435070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.435070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.581590 (E_RNA)
where:
Base-Base interactions energy: -752.399
where: short stacking energy: -321.124
Base-Backbone interact. energy: -1.331
local terms energy: -326.851181
where:
bonds (distance) C4'-P energy: -58.882
bonds (distance) P-C4' energy: -56.684
flat angles C4'-P-C4' energy: -69.909
flat angles P-C4'-P energy: -46.050
tors. eta vs tors. theta energy: -95.326
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: 323
Temperature: 1.150000
Total energy: -1027.646705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.646705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.457634 (E_RNA)
where:
Base-Base interactions energy: -725.724
where: short stacking energy: -281.884
Base-Backbone interact. energy: -1.421
local terms energy: -303.312555
where:
bonds (distance) C4'-P energy: -56.528
bonds (distance) P-C4' energy: -72.501
flat angles C4'-P-C4' energy: -69.101
flat angles P-C4'-P energy: -37.617
tors. eta vs tors. theta energy: -67.565
Dist. restrs. and SS energy: 2.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -974.747266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.747266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.262006 (E_RNA)
where:
Base-Base interactions energy: -670.200
where: short stacking energy: -277.549
Base-Backbone interact. energy: -1.447
local terms energy: -305.615385
where:
bonds (distance) C4'-P energy: -50.301
bonds (distance) P-C4' energy: -60.305
flat angles C4'-P-C4' energy: -69.732
flat angles P-C4'-P energy: -47.066
tors. eta vs tors. theta energy: -78.211
Dist. restrs. and SS energy: 2.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -961.662924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.662924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.054670 (E_RNA)
where:
Base-Base interactions energy: -684.429
where: short stacking energy: -272.916
Base-Backbone interact. energy: -0.765
local terms energy: -279.859872
where:
bonds (distance) C4'-P energy: -55.996
bonds (distance) P-C4' energy: -57.653
flat angles C4'-P-C4' energy: -58.678
flat angles P-C4'-P energy: -35.269
tors. eta vs tors. theta energy: -72.264
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: 9, replica: 7
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -895.301932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.301932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.056668 (E_RNA)
where:
Base-Base interactions energy: -624.534
where: short stacking energy: -246.522
Base-Backbone interact. energy: 0.376
local terms energy: -278.898362
where:
bonds (distance) C4'-P energy: -49.441
bonds (distance) P-C4' energy: -67.495
flat angles C4'-P-C4' energy: -55.921
flat angles P-C4'-P energy: -36.408
tors. eta vs tors. theta energy: -69.634
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: 10, replica: 5
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -810.987296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.987296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.087799 (E_RNA)
where:
Base-Base interactions energy: -564.879
where: short stacking energy: -233.272
Base-Backbone interact. energy: 1.092
local terms energy: -256.300606
where:
bonds (distance) C4'-P energy: -52.588
bonds (distance) P-C4' energy: -58.266
flat angles C4'-P-C4' energy: -51.830
flat angles P-C4'-P energy: -37.817
tors. eta vs tors. theta energy: -55.799
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: 4
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1220.798286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.798286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.305854 (E_RNA)
where:
Base-Base interactions energy: -846.921
where: short stacking energy: -362.793
Base-Backbone interact. energy: -2.517
local terms energy: -373.868236
where:
bonds (distance) C4'-P energy: -65.409
bonds (distance) P-C4' energy: -77.412
flat angles C4'-P-C4' energy: -78.644
flat angles P-C4'-P energy: -47.419
tors. eta vs tors. theta energy: -104.985
Dist. restrs. and SS energy: 2.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1204.132924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.132924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.542612 (E_RNA)
where:
Base-Base interactions energy: -852.438
where: short stacking energy: -353.873
Base-Backbone interact. energy: -1.615
local terms energy: -360.489745
where:
bonds (distance) C4'-P energy: -51.448
bonds (distance) P-C4' energy: -74.895
flat angles C4'-P-C4' energy: -87.933
flat angles P-C4'-P energy: -48.833
tors. eta vs tors. theta energy: -97.381
Dist. restrs. and SS energy: 10.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1195.630237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.630237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.550512 (E_RNA)
where:
Base-Base interactions energy: -827.090
where: short stacking energy: -330.848
Base-Backbone interact. energy: 1.914
local terms energy: -374.374060
where:
bonds (distance) C4'-P energy: -68.275
bonds (distance) P-C4' energy: -70.864
flat angles C4'-P-C4' energy: -77.726
flat angles P-C4'-P energy: -58.387
tors. eta vs tors. theta energy: -99.122
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: 4, replica: 6
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1137.081573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.081573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.325843 (E_RNA)
where:
Base-Base interactions energy: -806.484
where: short stacking energy: -333.470
Base-Backbone interact. energy: -1.722
local terms energy: -335.120588
where:
bonds (distance) C4'-P energy: -60.798
bonds (distance) P-C4' energy: -51.801
flat angles C4'-P-C4' energy: -73.038
flat angles P-C4'-P energy: -56.880
tors. eta vs tors. theta energy: -92.604
Dist. restrs. and SS energy: 6.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1062.015083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.015083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.159086 (E_RNA)
where:
Base-Base interactions energy: -726.088
where: short stacking energy: -301.514
Base-Backbone interact. energy: -2.315
local terms energy: -335.755760
where:
bonds (distance) C4'-P energy: -62.605
bonds (distance) P-C4' energy: -68.635
flat angles C4'-P-C4' energy: -77.776
flat angles P-C4'-P energy: -41.224
tors. eta vs tors. theta energy: -85.516
Dist. restrs. and SS energy: 2.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1031.038815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.038815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.015985 (E_RNA)
where:
Base-Base interactions energy: -707.179
where: short stacking energy: -270.783
Base-Backbone interact. energy: -2.298
local terms energy: -324.538445
where:
bonds (distance) C4'-P energy: -63.614
bonds (distance) P-C4' energy: -82.158
flat angles C4'-P-C4' energy: -69.949
flat angles P-C4'-P energy: -39.671
tors. eta vs tors. theta energy: -69.146
Dist. restrs. and SS energy: 2.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -975.414554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.414554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.605000 (E_RNA)
where:
Base-Base interactions energy: -682.299
where: short stacking energy: -291.399
Base-Backbone interact. energy: 1.677
local terms energy: -301.983338
where:
bonds (distance) C4'-P energy: -65.297
bonds (distance) P-C4' energy: -46.116
flat angles C4'-P-C4' energy: -60.870
flat angles P-C4'-P energy: -47.464
tors. eta vs tors. theta energy: -82.235
Dist. restrs. and SS energy: 7.190 (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: 3
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -973.599380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.599380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.620371 (E_RNA)
where:
Base-Base interactions energy: -649.670
where: short stacking energy: -258.443
Base-Backbone interact. energy: -0.210
local terms energy: -325.739961
where:
bonds (distance) C4'-P energy: -69.390
bonds (distance) P-C4' energy: -66.067
flat angles C4'-P-C4' energy: -65.658
flat angles P-C4'-P energy: -46.064
tors. eta vs tors. theta energy: -78.561
Dist. restrs. and SS energy: 2.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -897.529263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.529263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.378125 (E_RNA)
where:
Base-Base interactions energy: -639.882
where: short stacking energy: -242.465
Base-Backbone interact. energy: -0.066
local terms energy: -269.430063
where:
bonds (distance) C4'-P energy: -40.330
bonds (distance) P-C4' energy: -59.316
flat angles C4'-P-C4' energy: -70.390
flat angles P-C4'-P energy: -45.161
tors. eta vs tors. theta energy: -54.233
Dist. restrs. and SS energy: 11.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -845.290830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.290830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.135074 (E_RNA)
where:
Base-Base interactions energy: -596.423
where: short stacking energy: -214.644
Base-Backbone interact. energy: 1.424
local terms energy: -253.136980
where:
bonds (distance) C4'-P energy: -60.226
bonds (distance) P-C4' energy: -50.516
flat angles C4'-P-C4' energy: -54.246
flat angles P-C4'-P energy: -39.692
tors. eta vs tors. theta energy: -48.457
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: 1, replica: 4
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1237.940107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.940107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.176652 (E_RNA)
where:
Base-Base interactions energy: -875.262
where: short stacking energy: -359.461
Base-Backbone interact. energy: 0.317
local terms energy: -365.231425
where:
bonds (distance) C4'-P energy: -59.348
bonds (distance) P-C4' energy: -77.732
flat angles C4'-P-C4' energy: -75.059
flat angles P-C4'-P energy: -52.319
tors. eta vs tors. theta energy: -100.773
Dist. restrs. and SS energy: 2.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1225.668788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.668788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.399577 (E_RNA)
where:
Base-Base interactions energy: -846.125
where: short stacking energy: -337.579
Base-Backbone interact. energy: -0.486
local terms energy: -387.788610
where:
bonds (distance) C4'-P energy: -58.130
bonds (distance) P-C4' energy: -84.208
flat angles C4'-P-C4' energy: -81.749
flat angles P-C4'-P energy: -59.848
tors. eta vs tors. theta energy: -103.853
Dist. restrs. and SS energy: 8.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1193.707958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.707958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.504422 (E_RNA)
where:
Base-Base interactions energy: -824.538
where: short stacking energy: -331.003
Base-Backbone interact. energy: -2.006
local terms energy: -370.960343
where:
bonds (distance) C4'-P energy: -70.312
bonds (distance) P-C4' energy: -74.357
flat angles C4'-P-C4' energy: -71.632
flat angles P-C4'-P energy: -56.247
tors. eta vs tors. theta energy: -98.413
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: 4, replica: 6
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1094.966908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.966908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.008954 (E_RNA)
where:
Base-Base interactions energy: -773.879
where: short stacking energy: -327.858
Base-Backbone interact. energy: -3.112
local terms energy: -323.017577
where:
bonds (distance) C4'-P energy: -57.657
bonds (distance) P-C4' energy: -67.728
flat angles C4'-P-C4' energy: -72.477
flat angles P-C4'-P energy: -43.545
tors. eta vs tors. theta energy: -81.610
Dist. restrs. and SS energy: 5.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1089.919347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.919347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.772294 (E_RNA)
where:
Base-Base interactions energy: -757.515
where: short stacking energy: -326.963
Base-Backbone interact. energy: -1.720
local terms energy: -333.537981
where:
bonds (distance) C4'-P energy: -69.090
bonds (distance) P-C4' energy: -58.626
flat angles C4'-P-C4' energy: -69.236
flat angles P-C4'-P energy: -56.014
tors. eta vs tors. theta energy: -80.572
Dist. restrs. and SS energy: 2.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1033.046964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.046964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.986070 (E_RNA)
where:
Base-Base interactions energy: -724.581
where: short stacking energy: -292.575
Base-Backbone interact. energy: -3.349
local terms energy: -311.056806
where:
bonds (distance) C4'-P energy: -53.385
bonds (distance) P-C4' energy: -62.311
flat angles C4'-P-C4' energy: -65.493
flat angles P-C4'-P energy: -54.076
tors. eta vs tors. theta energy: -75.791
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: 7, replica: 8
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1035.230407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.230407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.471552 (E_RNA)
where:
Base-Base interactions energy: -709.751
where: short stacking energy: -286.174
Base-Backbone interact. energy: -1.436
local terms energy: -328.285283
where:
bonds (distance) C4'-P energy: -59.229
bonds (distance) P-C4' energy: -63.807
flat angles C4'-P-C4' energy: -71.411
flat angles P-C4'-P energy: -58.937
tors. eta vs tors. theta energy: -74.901
Dist. restrs. and SS energy: 4.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -966.610902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.610902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.472148 (E_RNA)
where:
Base-Base interactions energy: -681.476
where: short stacking energy: -284.009
Base-Backbone interact. energy: -1.090
local terms energy: -291.905815
where:
bonds (distance) C4'-P energy: -57.946
bonds (distance) P-C4' energy: -60.018
flat angles C4'-P-C4' energy: -56.017
flat angles P-C4'-P energy: -42.664
tors. eta vs tors. theta energy: -75.260
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: 9, replica: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -879.791881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.791881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.493219 (E_RNA)
where:
Base-Base interactions energy: -648.390
where: short stacking energy: -252.612
Base-Backbone interact. energy: 2.681
local terms energy: -245.783398
where:
bonds (distance) C4'-P energy: -50.758
bonds (distance) P-C4' energy: -54.333
flat angles C4'-P-C4' energy: -57.683
flat angles P-C4'-P energy: -26.327
tors. eta vs tors. theta energy: -56.682
Dist. restrs. and SS energy: 11.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -822.843638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.843638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.268974 (E_RNA)
where:
Base-Base interactions energy: -568.489
where: short stacking energy: -229.675
Base-Backbone interact. energy: -0.417
local terms energy: -260.363376
where:
bonds (distance) C4'-P energy: -57.827
bonds (distance) P-C4' energy: -45.522
flat angles C4'-P-C4' energy: -57.113
flat angles P-C4'-P energy: -46.919
tors. eta vs tors. theta energy: -52.983
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: 1, replica: 9
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1236.419983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.419983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.941916 (E_RNA)
where:
Base-Base interactions energy: -868.233
where: short stacking energy: -357.551
Base-Backbone interact. energy: 0.331
local terms energy: -379.040177
where:
bonds (distance) C4'-P energy: -68.777
bonds (distance) P-C4' energy: -76.101
flat angles C4'-P-C4' energy: -74.243
flat angles P-C4'-P energy: -51.639
tors. eta vs tors. theta energy: -108.280
Dist. restrs. and SS energy: 10.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1221.247267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.247267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.270699 (E_RNA)
where:
Base-Base interactions energy: -853.469
where: short stacking energy: -352.449
Base-Backbone interact. energy: -2.405
local terms energy: -369.397496
where:
bonds (distance) C4'-P energy: -67.645
bonds (distance) P-C4' energy: -73.011
flat angles C4'-P-C4' energy: -82.634
flat angles P-C4'-P energy: -52.350
tors. eta vs tors. theta energy: -93.757
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: 3, replica: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1182.159645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.159645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.807141 (E_RNA)
where:
Base-Base interactions energy: -806.932
where: short stacking energy: -335.982
Base-Backbone interact. energy: -1.984
local terms energy: -376.890999
where:
bonds (distance) C4'-P energy: -67.962
bonds (distance) P-C4' energy: -79.454
flat angles C4'-P-C4' energy: -81.420
flat angles P-C4'-P energy: -47.895
tors. eta vs tors. theta energy: -100.159
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: 4, replica: 6
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1088.526535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.526535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.185796 (E_RNA)
where:
Base-Base interactions energy: -758.936
where: short stacking energy: -309.644
Base-Backbone interact. energy: 1.404
local terms energy: -337.653943
where:
bonds (distance) C4'-P energy: -63.870
bonds (distance) P-C4' energy: -78.798
flat angles C4'-P-C4' energy: -63.072
flat angles P-C4'-P energy: -56.803
tors. eta vs tors. theta energy: -75.112
Dist. restrs. and SS energy: 6.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1082.529705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.529705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.460062 (E_RNA)
where:
Base-Base interactions energy: -764.696
where: short stacking energy: -327.637
Base-Backbone interact. energy: -1.355
local terms energy: -322.408702
where:
bonds (distance) C4'-P energy: -53.654
bonds (distance) P-C4' energy: -62.969
flat angles C4'-P-C4' energy: -76.352
flat angles P-C4'-P energy: -42.441
tors. eta vs tors. theta energy: -86.994
Dist. restrs. and SS energy: 5.930 (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: 1
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1030.152992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.152992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.391182 (E_RNA)
where:
Base-Base interactions energy: -723.165
where: short stacking energy: -293.277
Base-Backbone interact. energy: -1.809
local terms energy: -312.417725
where:
bonds (distance) C4'-P energy: -58.335
bonds (distance) P-C4' energy: -63.161
flat angles C4'-P-C4' energy: -64.080
flat angles P-C4'-P energy: -47.761
tors. eta vs tors. theta energy: -79.080
Dist. restrs. and SS energy: 7.238 (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: 326
Temperature: 1.200000
Total energy: -1049.356324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.356324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.311607 (E_RNA)
where:
Base-Base interactions energy: -752.037
where: short stacking energy: -314.444
Base-Backbone interact. energy: 0.395
local terms energy: -301.669099
where:
bonds (distance) C4'-P energy: -54.409
bonds (distance) P-C4' energy: -56.009
flat angles C4'-P-C4' energy: -69.136
flat angles P-C4'-P energy: -43.165
tors. eta vs tors. theta energy: -78.950
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: 8, replica: 3
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -945.588638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.588638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.468928 (E_RNA)
where:
Base-Base interactions energy: -646.773
where: short stacking energy: -263.961
Base-Backbone interact. energy: -1.262
local terms energy: -301.433125
where:
bonds (distance) C4'-P energy: -55.955
bonds (distance) P-C4' energy: -52.707
flat angles C4'-P-C4' energy: -65.402
flat angles P-C4'-P energy: -52.389
tors. eta vs tors. theta energy: -74.981
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: 9, replica: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -870.536745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.536745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.322150 (E_RNA)
where:
Base-Base interactions energy: -606.572
where: short stacking energy: -237.007
Base-Backbone interact. energy: -0.872
local terms energy: -266.878071
where:
bonds (distance) C4'-P energy: -55.836
bonds (distance) P-C4' energy: -57.071
flat angles C4'-P-C4' energy: -63.411
flat angles P-C4'-P energy: -39.238
tors. eta vs tors. theta energy: -51.322
Dist. restrs. and SS energy: 3.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -856.389256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.389256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.265804 (E_RNA)
where:
Base-Base interactions energy: -588.163
where: short stacking energy: -231.404
Base-Backbone interact. energy: -0.607
local terms energy: -273.495885
where:
bonds (distance) C4'-P energy: -48.136
bonds (distance) P-C4' energy: -64.629
flat angles C4'-P-C4' energy: -51.126
flat angles P-C4'-P energy: -47.126
tors. eta vs tors. theta energy: -62.480
Dist. restrs. and SS energy: 5.877 (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: 9
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1238.587888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.587888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.276184 (E_RNA)
where:
Base-Base interactions energy: -858.547
where: short stacking energy: -351.426
Base-Backbone interact. energy: -0.378
local terms energy: -387.350526
where:
bonds (distance) C4'-P energy: -79.807
bonds (distance) P-C4' energy: -65.732
flat angles C4'-P-C4' energy: -76.832
flat angles P-C4'-P energy: -60.095
tors. eta vs tors. theta energy: -104.885
Dist. restrs. and SS energy: 7.688 (S_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: 327
Temperature: 0.950000
Total energy: -1214.260969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.260969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.164320 (E_RNA)
where:
Base-Base interactions energy: -841.999
where: short stacking energy: -356.295
Base-Backbone interact. energy: 1.818
local terms energy: -376.983688
where:
bonds (distance) C4'-P energy: -74.737
bonds (distance) P-C4' energy: -72.472
flat angles C4'-P-C4' energy: -81.657
flat angles P-C4'-P energy: -48.108
tors. eta vs tors. theta energy: -100.010
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: 3, replica: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1192.875129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.875129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.942311 (E_RNA)
where:
Base-Base interactions energy: -825.034
where: short stacking energy: -338.840
Base-Backbone interact. energy: -1.051
local terms energy: -367.857008
where:
bonds (distance) C4'-P energy: -58.889
bonds (distance) P-C4' energy: -73.079
flat angles C4'-P-C4' energy: -72.474
flat angles P-C4'-P energy: -57.859
tors. eta vs tors. theta energy: -105.555
Dist. restrs. and SS energy: 1.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1106.176329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.176329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.224753 (E_RNA)
where:
Base-Base interactions energy: -774.940
where: short stacking energy: -336.407
Base-Backbone interact. energy: 0.290
local terms energy: -336.574655
where:
bonds (distance) C4'-P energy: -59.943
bonds (distance) P-C4' energy: -56.530
flat angles C4'-P-C4' energy: -76.629
flat angles P-C4'-P energy: -47.558
tors. eta vs tors. theta energy: -95.914
Dist. restrs. and SS energy: 5.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1064.155900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.155900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.855120 (E_RNA)
where:
Base-Base interactions energy: -738.457
where: short stacking energy: -305.416
Base-Backbone interact. energy: -2.691
local terms energy: -331.706906
where:
bonds (distance) C4'-P energy: -65.696
bonds (distance) P-C4' energy: -68.009
flat angles C4'-P-C4' energy: -67.472
flat angles P-C4'-P energy: -51.738
tors. eta vs tors. theta energy: -78.792
Dist. restrs. and SS energy: 8.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1052.281422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.281422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.067466 (E_RNA)
where:
Base-Base interactions energy: -738.737
where: short stacking energy: -301.034
Base-Backbone interact. energy: -2.213
local terms energy: -315.117494
where:
bonds (distance) C4'-P energy: -61.721
bonds (distance) P-C4' energy: -57.961
flat angles C4'-P-C4' energy: -67.877
flat angles P-C4'-P energy: -45.734
tors. eta vs tors. theta energy: -81.825
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: 7, replica: 1
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -982.450871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.450871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.819213 (E_RNA)
where:
Base-Base interactions energy: -693.058
where: short stacking energy: -265.836
Base-Backbone interact. energy: -1.464
local terms energy: -293.297444
where:
bonds (distance) C4'-P energy: -64.102
bonds (distance) P-C4' energy: -66.284
flat angles C4'-P-C4' energy: -64.074
flat angles P-C4'-P energy: -34.860
tors. eta vs tors. theta energy: -63.977
Dist. restrs. and SS energy: 5.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -949.137057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.137057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.082017 (E_RNA)
where:
Base-Base interactions energy: -660.841
where: short stacking energy: -272.876
Base-Backbone interact. energy: -2.389
local terms energy: -292.852131
where:
bonds (distance) C4'-P energy: -47.557
bonds (distance) P-C4' energy: -69.733
flat angles C4'-P-C4' energy: -60.482
flat angles P-C4'-P energy: -43.682
tors. eta vs tors. theta energy: -71.398
Dist. restrs. and SS energy: 6.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -898.258364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.258364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.996324 (E_RNA)
where:
Base-Base interactions energy: -623.690
where: short stacking energy: -241.320
Base-Backbone interact. energy: -1.520
local terms energy: -279.785815
where:
bonds (distance) C4'-P energy: -54.743
bonds (distance) P-C4' energy: -48.973
flat angles C4'-P-C4' energy: -66.676
flat angles P-C4'-P energy: -51.135
tors. eta vs tors. theta energy: -58.258
Dist. restrs. and SS energy: 6.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -791.569448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.569448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.853569 (E_RNA)
where:
Base-Base interactions energy: -553.096
where: short stacking energy: -216.063
Base-Backbone interact. energy: 0.972
local terms energy: -247.730367
where:
bonds (distance) C4'-P energy: -60.831
bonds (distance) P-C4' energy: -55.731
flat angles C4'-P-C4' energy: -56.186
flat angles P-C4'-P energy: -26.258
tors. eta vs tors. theta energy: -48.725
Dist. restrs. and SS energy: 8.284 (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: 9
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1249.736919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.736919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.747744 (E_RNA)
where:
Base-Base interactions energy: -883.051
where: short stacking energy: -371.745
Base-Backbone interact. energy: 0.947
local terms energy: -376.644363
where:
bonds (distance) C4'-P energy: -74.326
bonds (distance) P-C4' energy: -73.361
flat angles C4'-P-C4' energy: -73.306
flat angles P-C4'-P energy: -47.927
tors. eta vs tors. theta energy: -107.724
Dist. restrs. and SS energy: 9.011 (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: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1214.066958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.066958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.501897 (E_RNA)
where:
Base-Base interactions energy: -853.417
where: short stacking energy: -343.497
Base-Backbone interact. energy: 3.059
local terms energy: -366.144152
where:
bonds (distance) C4'-P energy: -69.339
bonds (distance) P-C4' energy: -66.526
flat angles C4'-P-C4' energy: -72.556
flat angles P-C4'-P energy: -64.348
tors. eta vs tors. theta energy: -93.376
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: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1159.824031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.824031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.242922 (E_RNA)
where:
Base-Base interactions energy: -807.994
where: short stacking energy: -328.826
Base-Backbone interact. energy: -2.840
local terms energy: -350.409641
where:
bonds (distance) C4'-P energy: -63.343
bonds (distance) P-C4' energy: -59.473
flat angles C4'-P-C4' energy: -74.526
flat angles P-C4'-P energy: -50.413
tors. eta vs tors. theta energy: -102.655
Dist. restrs. and SS energy: 1.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1112.961330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.961330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.754975 (E_RNA)
where:
Base-Base interactions energy: -782.754
where: short stacking energy: -317.779
Base-Backbone interact. energy: 0.734
local terms energy: -336.735411
where:
bonds (distance) C4'-P energy: -62.626
bonds (distance) P-C4' energy: -58.206
flat angles C4'-P-C4' energy: -79.786
flat angles P-C4'-P energy: -46.968
tors. eta vs tors. theta energy: -89.149
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: 5, replica: 8
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1084.266139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.266139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.523682 (E_RNA)
where:
Base-Base interactions energy: -777.927
where: short stacking energy: -299.782
Base-Backbone interact. energy: -2.100
local terms energy: -308.497163
where:
bonds (distance) C4'-P energy: -62.809
bonds (distance) P-C4' energy: -56.103
flat angles C4'-P-C4' energy: -64.588
flat angles P-C4'-P energy: -46.378
tors. eta vs tors. theta energy: -78.619
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: 6, replica: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1074.886076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.886076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.959440 (E_RNA)
where:
Base-Base interactions energy: -747.571
where: short stacking energy: -317.628
Base-Backbone interact. energy: -2.655
local terms energy: -333.733247
where:
bonds (distance) C4'-P energy: -67.819
bonds (distance) P-C4' energy: -58.944
flat angles C4'-P-C4' energy: -67.298
flat angles P-C4'-P energy: -47.287
tors. eta vs tors. theta energy: -92.385
Dist. restrs. and SS energy: 9.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -984.690795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.690795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.311240 (E_RNA)
where:
Base-Base interactions energy: -693.990
where: short stacking energy: -277.165
Base-Backbone interact. energy: -1.615
local terms energy: -297.705957
where:
bonds (distance) C4'-P energy: -62.699
bonds (distance) P-C4' energy: -59.140
flat angles C4'-P-C4' energy: -62.854
flat angles P-C4'-P energy: -40.895
tors. eta vs tors. theta energy: -72.118
Dist. restrs. and SS energy: 8.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -960.075217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.075217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.884074 (E_RNA)
where:
Base-Base interactions energy: -680.118
where: short stacking energy: -284.891
Base-Backbone interact. energy: 1.912
local terms energy: -287.678264
where:
bonds (distance) C4'-P energy: -54.548
bonds (distance) P-C4' energy: -60.645
flat angles C4'-P-C4' energy: -62.650
flat angles P-C4'-P energy: -41.273
tors. eta vs tors. theta energy: -68.562
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: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -924.957969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.957969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.715796 (E_RNA)
where:
Base-Base interactions energy: -665.049
where: short stacking energy: -273.006
Base-Backbone interact. energy: -0.769
local terms energy: -260.897711
where:
bonds (distance) C4'-P energy: -38.396
bonds (distance) P-C4' energy: -61.626
flat angles C4'-P-C4' energy: -52.836
flat angles P-C4'-P energy: -36.973
tors. eta vs tors. theta energy: -71.066
Dist. restrs. and SS energy: 1.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -838.025482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.025482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.631450 (E_RNA)
where:
Base-Base interactions energy: -596.423
where: short stacking energy: -229.399
Base-Backbone interact. energy: 2.971
local terms energy: -252.179668
where:
bonds (distance) C4'-P energy: -47.367
bonds (distance) P-C4' energy: -56.044
flat angles C4'-P-C4' energy: -52.023
flat angles P-C4'-P energy: -34.910
tors. eta vs tors. theta energy: -61.835
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: 1, replica: 9
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1259.450442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.450442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.301555 (E_RNA)
where:
Base-Base interactions energy: -873.860
where: short stacking energy: -385.141
Base-Backbone interact. energy: -2.931
local terms energy: -389.510456
where:
bonds (distance) C4'-P energy: -73.137
bonds (distance) P-C4' energy: -70.589
flat angles C4'-P-C4' energy: -82.523
flat angles P-C4'-P energy: -56.442
tors. eta vs tors. theta energy: -106.820
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: 2, replica: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1214.735526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.735526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.732244 (E_RNA)
where:
Base-Base interactions energy: -863.677
where: short stacking energy: -344.877
Base-Backbone interact. energy: -1.441
local terms energy: -352.614142
where:
bonds (distance) C4'-P energy: -64.830
bonds (distance) P-C4' energy: -57.543
flat angles C4'-P-C4' energy: -82.457
flat angles P-C4'-P energy: -50.484
tors. eta vs tors. theta energy: -97.300
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: 3, replica: 2
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1173.006145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.006145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.573705 (E_RNA)
where:
Base-Base interactions energy: -820.601
where: short stacking energy: -360.266
Base-Backbone interact. energy: 1.775
local terms energy: -356.747155
where:
bonds (distance) C4'-P energy: -60.446
bonds (distance) P-C4' energy: -62.035
flat angles C4'-P-C4' energy: -73.779
flat angles P-C4'-P energy: -55.343
tors. eta vs tors. theta energy: -105.144
Dist. restrs. and SS energy: 2.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1098.506205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.506205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.710121 (E_RNA)
where:
Base-Base interactions energy: -775.397
where: short stacking energy: -322.187
Base-Backbone interact. energy: -0.250
local terms energy: -326.062896
where:
bonds (distance) C4'-P energy: -57.913
bonds (distance) P-C4' energy: -65.728
flat angles C4'-P-C4' energy: -68.897
flat angles P-C4'-P energy: -49.536
tors. eta vs tors. theta energy: -83.988
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: 5, replica: 10
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1067.315664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.315664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.948374 (E_RNA)
where:
Base-Base interactions energy: -735.763
where: short stacking energy: -299.579
Base-Backbone interact. energy: -0.980
local terms energy: -333.204915
where:
bonds (distance) C4'-P energy: -56.463
bonds (distance) P-C4' energy: -70.597
flat angles C4'-P-C4' energy: -76.504
flat angles P-C4'-P energy: -54.204
tors. eta vs tors. theta energy: -75.436
Dist. restrs. and SS energy: 2.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1028.129764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.129764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.770786 (E_RNA)
where:
Base-Base interactions energy: -731.639
where: short stacking energy: -301.259
Base-Backbone interact. energy: 2.304
local terms energy: -307.435826
where:
bonds (distance) C4'-P energy: -52.939
bonds (distance) P-C4' energy: -53.255
flat angles C4'-P-C4' energy: -71.674
flat angles P-C4'-P energy: -42.937
tors. eta vs tors. theta energy: -86.631
Dist. restrs. and SS energy: 8.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1002.619730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.619730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.715966 (E_RNA)
where:
Base-Base interactions energy: -696.196
where: short stacking energy: -273.197
Base-Backbone interact. energy: -0.608
local terms energy: -311.912333
where:
bonds (distance) C4'-P energy: -60.210
bonds (distance) P-C4' energy: -50.343
flat angles C4'-P-C4' energy: -72.695
flat angles P-C4'-P energy: -47.324
tors. eta vs tors. theta energy: -81.340
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: 8, replica: 3
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -973.633204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.633204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.488710 (E_RNA)
where:
Base-Base interactions energy: -656.901
where: short stacking energy: -263.816
Base-Backbone interact. energy: -0.805
local terms energy: -324.783207
where:
bonds (distance) C4'-P energy: -67.818
bonds (distance) P-C4' energy: -63.831
flat angles C4'-P-C4' energy: -79.152
flat angles P-C4'-P energy: -41.601
tors. eta vs tors. theta energy: -72.382
Dist. restrs. and SS energy: 8.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -906.572189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.572189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.109735 (E_RNA)
where:
Base-Base interactions energy: -623.118
where: short stacking energy: -233.087
Base-Backbone interact. energy: -2.268
local terms energy: -286.724250
where:
bonds (distance) C4'-P energy: -68.072
bonds (distance) P-C4' energy: -59.922
flat angles C4'-P-C4' energy: -63.108
flat angles P-C4'-P energy: -38.585
tors. eta vs tors. theta energy: -57.037
Dist. restrs. and SS energy: 5.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -849.007337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.007337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.378990 (E_RNA)
where:
Base-Base interactions energy: -575.298
where: short stacking energy: -219.231
Base-Backbone interact. energy: -2.035
local terms energy: -274.045819
where:
bonds (distance) C4'-P energy: -56.147
bonds (distance) P-C4' energy: -60.622
flat angles C4'-P-C4' energy: -63.437
flat angles P-C4'-P energy: -37.328
tors. eta vs tors. theta energy: -56.511
Dist. restrs. and SS energy: 2.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1263.450016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.450016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.713199 (E_RNA)
where:
Base-Base interactions energy: -880.301
where: short stacking energy: -369.862
Base-Backbone interact. energy: -1.523
local terms energy: -387.889755
where:
bonds (distance) C4'-P energy: -65.989
bonds (distance) P-C4' energy: -62.093
flat angles C4'-P-C4' energy: -80.811
flat angles P-C4'-P energy: -64.807
tors. eta vs tors. theta energy: -114.190
Dist. restrs. and SS energy: 6.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1199.353963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.353963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.050900 (E_RNA)
where:
Base-Base interactions energy: -843.635
where: short stacking energy: -348.879
Base-Backbone interact. energy: -1.313
local terms energy: -358.103204
where:
bonds (distance) C4'-P energy: -58.259
bonds (distance) P-C4' energy: -63.391
flat angles C4'-P-C4' energy: -80.912
flat angles P-C4'-P energy: -60.819
tors. eta vs tors. theta energy: -94.722
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: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1161.841804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.841804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.444794 (E_RNA)
where:
Base-Base interactions energy: -801.501
where: short stacking energy: -335.002
Base-Backbone interact. energy: 0.172
local terms energy: -364.115179
where:
bonds (distance) C4'-P energy: -65.306
bonds (distance) P-C4' energy: -68.145
flat angles C4'-P-C4' energy: -74.531
flat angles P-C4'-P energy: -54.686
tors. eta vs tors. theta energy: -101.447
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: 4, replica: 8
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1113.195784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.195784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.997807 (E_RNA)
where:
Base-Base interactions energy: -772.038
where: short stacking energy: -296.910
Base-Backbone interact. energy: -5.046
local terms energy: -338.913507
where:
bonds (distance) C4'-P energy: -70.222
bonds (distance) P-C4' energy: -62.322
flat angles C4'-P-C4' energy: -66.496
flat angles P-C4'-P energy: -48.675
tors. eta vs tors. theta energy: -91.200
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: 5, replica: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1067.339129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.339129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.405523 (E_RNA)
where:
Base-Base interactions energy: -757.570
where: short stacking energy: -304.946
Base-Backbone interact. energy: -1.422
local terms energy: -313.413937
where:
bonds (distance) C4'-P energy: -56.403
bonds (distance) P-C4' energy: -57.619
flat angles C4'-P-C4' energy: -66.717
flat angles P-C4'-P energy: -48.066
tors. eta vs tors. theta energy: -84.608
Dist. restrs. and SS energy: 5.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1054.181542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.181542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.054968 (E_RNA)
where:
Base-Base interactions energy: -721.525
where: short stacking energy: -291.200
Base-Backbone interact. energy: -2.316
local terms energy: -334.213627
where:
bonds (distance) C4'-P energy: -65.642
bonds (distance) P-C4' energy: -62.021
flat angles C4'-P-C4' energy: -71.271
flat angles P-C4'-P energy: -50.673
tors. eta vs tors. theta energy: -84.606
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: 7, replica: 3
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -981.046171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.046171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.796733 (E_RNA)
where:
Base-Base interactions energy: -695.986
where: short stacking energy: -283.861
Base-Backbone interact. energy: -2.034
local terms energy: -286.776609
where:
bonds (distance) C4'-P energy: -52.937
bonds (distance) P-C4' energy: -55.930
flat angles C4'-P-C4' energy: -70.905
flat angles P-C4'-P energy: -38.206
tors. eta vs tors. theta energy: -68.798
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: 8, replica: 1
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -944.512353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.512353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.420453 (E_RNA)
where:
Base-Base interactions energy: -647.134
where: short stacking energy: -269.133
Base-Backbone interact. energy: -3.694
local terms energy: -303.592337
where:
bonds (distance) C4'-P energy: -66.985
bonds (distance) P-C4' energy: -58.178
flat angles C4'-P-C4' energy: -61.532
flat angles P-C4'-P energy: -47.726
tors. eta vs tors. theta energy: -69.172
Dist. restrs. and SS energy: 9.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -874.472331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.472331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.675593 (E_RNA)
where:
Base-Base interactions energy: -610.230
where: short stacking energy: -236.036
Base-Backbone interact. energy: 1.209
local terms energy: -269.654140
where:
bonds (distance) C4'-P energy: -57.192
bonds (distance) P-C4' energy: -57.815
flat angles C4'-P-C4' energy: -66.846
flat angles P-C4'-P energy: -34.952
tors. eta vs tors. theta energy: -52.850
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: 10, replica: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -892.416613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.416613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.557284 (E_RNA)
where:
Base-Base interactions energy: -632.145
where: short stacking energy: -250.543
Base-Backbone interact. energy: 6.293
local terms energy: -272.704875
where:
bonds (distance) C4'-P energy: -44.626
bonds (distance) P-C4' energy: -48.347
flat angles C4'-P-C4' energy: -69.419
flat angles P-C4'-P energy: -44.929
tors. eta vs tors. theta energy: -65.384
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: 1, replica: 9
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1246.523032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.523032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.763616 (E_RNA)
where:
Base-Base interactions energy: -856.700
where: short stacking energy: -345.397
Base-Backbone interact. energy: -1.417
local terms energy: -392.646683
where:
bonds (distance) C4'-P energy: -77.951
bonds (distance) P-C4' energy: -75.675
flat angles C4'-P-C4' energy: -78.733
flat angles P-C4'-P energy: -54.655
tors. eta vs tors. theta energy: -105.633
Dist. restrs. and SS energy: 4.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1199.062938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.062938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.858470 (E_RNA)
where:
Base-Base interactions energy: -841.987
where: short stacking energy: -334.841
Base-Backbone interact. energy: 3.529
local terms energy: -363.400402
where:
bonds (distance) C4'-P energy: -66.902
bonds (distance) P-C4' energy: -68.737
flat angles C4'-P-C4' energy: -73.228
flat angles P-C4'-P energy: -52.965
tors. eta vs tors. theta energy: -101.569
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: 3, replica: 2
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1160.523029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.523029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.021906 (E_RNA)
where:
Base-Base interactions energy: -811.537
where: short stacking energy: -347.724
Base-Backbone interact. energy: -2.116
local terms energy: -351.369749
where:
bonds (distance) C4'-P energy: -63.497
bonds (distance) P-C4' energy: -56.078
flat angles C4'-P-C4' energy: -73.440
flat angles P-C4'-P energy: -55.537
tors. eta vs tors. theta energy: -102.818
Dist. restrs. and SS energy: 4.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1107.752615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.752615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.887382 (E_RNA)
where:
Base-Base interactions energy: -784.236
where: short stacking energy: -321.155
Base-Backbone interact. energy: -1.132
local terms energy: -326.519306
where:
bonds (distance) C4'-P energy: -61.371
bonds (distance) P-C4' energy: -63.427
flat angles C4'-P-C4' energy: -67.212
flat angles P-C4'-P energy: -41.377
tors. eta vs tors. theta energy: -93.133
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: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1073.464516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.464516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.377043 (E_RNA)
where:
Base-Base interactions energy: -743.476
where: short stacking energy: -294.699
Base-Backbone interact. energy: 2.909
local terms energy: -339.809671
where:
bonds (distance) C4'-P energy: -69.533
bonds (distance) P-C4' energy: -61.912
flat angles C4'-P-C4' energy: -70.878
flat angles P-C4'-P energy: -53.111
tors. eta vs tors. theta energy: -84.376
Dist. restrs. and SS energy: 6.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1059.418263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.418263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.196106 (E_RNA)
where:
Base-Base interactions energy: -718.816
where: short stacking energy: -292.506
Base-Backbone interact. energy: -0.679
local terms energy: -341.700915
where:
bonds (distance) C4'-P energy: -70.297
bonds (distance) P-C4' energy: -73.668
flat angles C4'-P-C4' energy: -70.336
flat angles P-C4'-P energy: -43.454
tors. eta vs tors. theta energy: -83.946
Dist. restrs. and SS energy: 1.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1020.216362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.216362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.230404 (E_RNA)
where:
Base-Base interactions energy: -718.756
where: short stacking energy: -296.250
Base-Backbone interact. energy: -1.592
local terms energy: -304.882112
where:
bonds (distance) C4'-P energy: -54.507
bonds (distance) P-C4' energy: -55.361
flat angles C4'-P-C4' energy: -64.079
flat angles P-C4'-P energy: -47.351
tors. eta vs tors. theta energy: -83.583
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: 8, replica: 1
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -922.587176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.587176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.820529 (E_RNA)
where:
Base-Base interactions energy: -659.084
where: short stacking energy: -269.121
Base-Backbone interact. energy: -1.799
local terms energy: -268.937501
where:
bonds (distance) C4'-P energy: -52.521
bonds (distance) P-C4' energy: -48.132
flat angles C4'-P-C4' energy: -57.243
flat angles P-C4'-P energy: -40.044
tors. eta vs tors. theta energy: -70.998
Dist. restrs. and SS energy: 7.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -881.391689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.391689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.080005 (E_RNA)
where:
Base-Base interactions energy: -620.448
where: short stacking energy: -237.557
Base-Backbone interact. energy: 2.805
local terms energy: -266.437421
where:
bonds (distance) C4'-P energy: -54.594
bonds (distance) P-C4' energy: -62.516
flat angles C4'-P-C4' energy: -61.545
flat angles P-C4'-P energy: -31.558
tors. eta vs tors. theta energy: -56.224
Dist. restrs. and SS energy: 2.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -865.330840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.330840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.790080 (E_RNA)
where:
Base-Base interactions energy: -607.494
where: short stacking energy: -236.738
Base-Backbone interact. energy: 1.240
local terms energy: -267.536677
where:
bonds (distance) C4'-P energy: -49.584
bonds (distance) P-C4' energy: -59.131
flat angles C4'-P-C4' energy: -62.873
flat angles P-C4'-P energy: -43.125
tors. eta vs tors. theta energy: -52.824
Dist. restrs. and SS energy: 8.459 (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: 9
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1252.044374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.044374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.197892 (E_RNA)
where:
Base-Base interactions energy: -883.805
where: short stacking energy: -345.253
Base-Backbone interact. energy: -5.071
local terms energy: -368.322171
where:
bonds (distance) C4'-P energy: -66.663
bonds (distance) P-C4' energy: -72.735
flat angles C4'-P-C4' energy: -76.329
flat angles P-C4'-P energy: -56.233
tors. eta vs tors. theta energy: -96.363
Dist. restrs. and SS energy: 5.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1200.191084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.191084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.648953 (E_RNA)
where:
Base-Base interactions energy: -818.319
where: short stacking energy: -348.412
Base-Backbone interact. energy: -0.353
local terms energy: -383.977089
where:
bonds (distance) C4'-P energy: -69.558
bonds (distance) P-C4' energy: -75.697
flat angles C4'-P-C4' energy: -77.948
flat angles P-C4'-P energy: -60.666
tors. eta vs tors. theta energy: -100.108
Dist. restrs. and SS energy: 2.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1150.715946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.715946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.809092 (E_RNA)
where:
Base-Base interactions energy: -779.728
where: short stacking energy: -333.841
Base-Backbone interact. energy: -2.957
local terms energy: -372.123391
where:
bonds (distance) C4'-P energy: -67.935
bonds (distance) P-C4' energy: -76.275
flat angles C4'-P-C4' energy: -71.472
flat angles P-C4'-P energy: -51.208
tors. eta vs tors. theta energy: -105.234
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: 4, replica: 8
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1123.899651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.899651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.428409 (E_RNA)
where:
Base-Base interactions energy: -780.044
where: short stacking energy: -316.680
Base-Backbone interact. energy: 0.872
local terms energy: -348.256060
where:
bonds (distance) C4'-P energy: -63.852
bonds (distance) P-C4' energy: -62.968
flat angles C4'-P-C4' energy: -70.356
flat angles P-C4'-P energy: -58.736
tors. eta vs tors. theta energy: -92.343
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: 332
Temperature: 1.100000
Total energy: -1065.245150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.245150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.138948 (E_RNA)
where:
Base-Base interactions energy: -740.322
where: short stacking energy: -294.521
Base-Backbone interact. energy: -2.880
local terms energy: -325.937773
where:
bonds (distance) C4'-P energy: -53.787
bonds (distance) P-C4' energy: -61.831
flat angles C4'-P-C4' energy: -67.514
flat angles P-C4'-P energy: -54.633
tors. eta vs tors. theta energy: -88.173
Dist. restrs. and SS energy: 3.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1032.057560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.057560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.720499 (E_RNA)
where:
Base-Base interactions energy: -742.475
where: short stacking energy: -303.617
Base-Backbone interact. energy: -1.801
local terms energy: -299.444344
where:
bonds (distance) C4'-P energy: -54.308
bonds (distance) P-C4' energy: -58.258
flat angles C4'-P-C4' energy: -56.063
flat angles P-C4'-P energy: -49.001
tors. eta vs tors. theta energy: -81.815
Dist. restrs. and SS energy: 11.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1000.177228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.177228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.208626 (E_RNA)
where:
Base-Base interactions energy: -705.830
where: short stacking energy: -293.688
Base-Backbone interact. energy: 1.452
local terms energy: -296.830481
where:
bonds (distance) C4'-P energy: -55.364
bonds (distance) P-C4' energy: -49.081
flat angles C4'-P-C4' energy: -69.638
flat angles P-C4'-P energy: -48.578
tors. eta vs tors. theta energy: -74.169
Dist. restrs. and SS energy: 1.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -950.621353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.621353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.412482 (E_RNA)
where:
Base-Base interactions energy: -673.049
where: short stacking energy: -259.781
Base-Backbone interact. energy: 0.317
local terms energy: -281.680371
where:
bonds (distance) C4'-P energy: -48.144
bonds (distance) P-C4' energy: -59.252
flat angles C4'-P-C4' energy: -63.397
flat angles P-C4'-P energy: -43.557
tors. eta vs tors. theta energy: -67.330
Dist. restrs. and SS energy: 3.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -899.062620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.062620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.375716 (E_RNA)
where:
Base-Base interactions energy: -633.908
where: short stacking energy: -241.304
Base-Backbone interact. energy: -1.342
local terms energy: -267.125302
where:
bonds (distance) C4'-P energy: -54.823
bonds (distance) P-C4' energy: -62.449
flat angles C4'-P-C4' energy: -62.143
flat angles P-C4'-P energy: -39.573
tors. eta vs tors. theta energy: -48.137
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: 10, replica: 5
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -846.218994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.218994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.131492 (E_RNA)
where:
Base-Base interactions energy: -603.517
where: short stacking energy: -249.524
Base-Backbone interact. energy: -2.866
local terms energy: -246.748835
where:
bonds (distance) C4'-P energy: -50.528
bonds (distance) P-C4' energy: -44.759
flat angles C4'-P-C4' energy: -57.701
flat angles P-C4'-P energy: -34.524
tors. eta vs tors. theta energy: -59.236
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: 9
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1241.436052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.436052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.651941 (E_RNA)
where:
Base-Base interactions energy: -874.449
where: short stacking energy: -343.843
Base-Backbone interact. energy: 2.863
local terms energy: -375.065207
where:
bonds (distance) C4'-P energy: -76.791
bonds (distance) P-C4' energy: -62.734
flat angles C4'-P-C4' energy: -81.845
flat angles P-C4'-P energy: -57.704
tors. eta vs tors. theta energy: -95.991
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: 2, replica: 2
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1186.131709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.131709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.637623 (E_RNA)
where:
Base-Base interactions energy: -811.736
where: short stacking energy: -347.476
Base-Backbone interact. energy: -1.610
local terms energy: -378.291683
where:
bonds (distance) C4'-P energy: -68.064
bonds (distance) P-C4' energy: -70.652
flat angles C4'-P-C4' energy: -83.193
flat angles P-C4'-P energy: -54.503
tors. eta vs tors. theta energy: -101.880
Dist. restrs. and SS energy: 5.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1180.531345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.531345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.873799 (E_RNA)
where:
Base-Base interactions energy: -825.496
where: short stacking energy: -344.625
Base-Backbone interact. energy: -0.030
local terms energy: -357.347829
where:
bonds (distance) C4'-P energy: -64.595
bonds (distance) P-C4' energy: -55.464
flat angles C4'-P-C4' energy: -83.427
flat angles P-C4'-P energy: -54.884
tors. eta vs tors. theta energy: -98.978
Dist. restrs. and SS energy: 2.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1128.968753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.968753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.619625 (E_RNA)
where:
Base-Base interactions energy: -777.354
where: short stacking energy: -321.508
Base-Backbone interact. energy: 0.965
local terms energy: -357.230751
where:
bonds (distance) C4'-P energy: -62.860
bonds (distance) P-C4' energy: -71.052
flat angles C4'-P-C4' energy: -71.925
flat angles P-C4'-P energy: -60.414
tors. eta vs tors. theta energy: -90.980
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: 10
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1049.920095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.920095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.421490 (E_RNA)
where:
Base-Base interactions energy: -718.170
where: short stacking energy: -277.615
Base-Backbone interact. energy: -4.690
local terms energy: -332.562036
where:
bonds (distance) C4'-P energy: -62.133
bonds (distance) P-C4' energy: -74.568
flat angles C4'-P-C4' energy: -68.183
flat angles P-C4'-P energy: -52.773
tors. eta vs tors. theta energy: -74.905
Dist. restrs. and SS energy: 5.501 (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: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1023.659292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.659292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.717126 (E_RNA)
where:
Base-Base interactions energy: -717.610
where: short stacking energy: -295.166
Base-Backbone interact. energy: -0.714
local terms energy: -314.392915
where:
bonds (distance) C4'-P energy: -56.528
bonds (distance) P-C4' energy: -64.592
flat angles C4'-P-C4' energy: -61.646
flat angles P-C4'-P energy: -47.552
tors. eta vs tors. theta energy: -84.075
Dist. restrs. and SS energy: 9.058 (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: 1
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -976.778990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.778990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.380178 (E_RNA)
where:
Base-Base interactions energy: -674.120
where: short stacking energy: -262.269
Base-Backbone interact. energy: -1.931
local terms energy: -305.328650
where:
bonds (distance) C4'-P energy: -54.869
bonds (distance) P-C4' energy: -75.205
flat angles C4'-P-C4' energy: -63.616
flat angles P-C4'-P energy: -31.523
tors. eta vs tors. theta energy: -80.115
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: 8, replica: 3
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -981.394004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.394004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.138575 (E_RNA)
where:
Base-Base interactions energy: -676.531
where: short stacking energy: -273.180
Base-Backbone interact. energy: -1.310
local terms energy: -310.297685
where:
bonds (distance) C4'-P energy: -62.130
bonds (distance) P-C4' energy: -56.673
flat angles C4'-P-C4' energy: -77.627
flat angles P-C4'-P energy: -34.710
tors. eta vs tors. theta energy: -79.157
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: 9, replica: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -893.625369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.625369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.126810 (E_RNA)
where:
Base-Base interactions energy: -612.130
where: short stacking energy: -237.311
Base-Backbone interact. energy: -0.983
local terms energy: -288.013761
where:
bonds (distance) C4'-P energy: -64.557
bonds (distance) P-C4' energy: -65.769
flat angles C4'-P-C4' energy: -57.159
flat angles P-C4'-P energy: -36.466
tors. eta vs tors. theta energy: -64.063
Dist. restrs. and SS energy: 7.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -858.723416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.723416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.055695 (E_RNA)
where:
Base-Base interactions energy: -609.973
where: short stacking energy: -234.409
Base-Backbone interact. energy: -4.182
local terms energy: -250.901050
where:
bonds (distance) C4'-P energy: -43.087
bonds (distance) P-C4' energy: -59.834
flat angles C4'-P-C4' energy: -55.929
flat angles P-C4'-P energy: -34.548
tors. eta vs tors. theta energy: -57.503
Dist. restrs. and SS energy: 6.332 (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: 9
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1242.265197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.265197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.426473 (E_RNA)
where:
Base-Base interactions energy: -853.857
where: short stacking energy: -353.166
Base-Backbone interact. energy: -4.009
local terms energy: -388.560052
where:
bonds (distance) C4'-P energy: -76.488
bonds (distance) P-C4' energy: -71.445
flat angles C4'-P-C4' energy: -75.293
flat angles P-C4'-P energy: -60.162
tors. eta vs tors. theta energy: -105.173
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: 2, replica: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1214.919208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.919208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.082436 (E_RNA)
where:
Base-Base interactions energy: -850.627
where: short stacking energy: -360.904
Base-Backbone interact. energy: -1.654
local terms energy: -365.802044
where:
bonds (distance) C4'-P energy: -63.965
bonds (distance) P-C4' energy: -71.529
flat angles C4'-P-C4' energy: -75.576
flat angles P-C4'-P energy: -51.663
tors. eta vs tors. theta energy: -103.069
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: 334
Temperature: 1.000000
Total energy: -1180.531997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.531997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.446528 (E_RNA)
where:
Base-Base interactions energy: -815.092
where: short stacking energy: -337.126
Base-Backbone interact. energy: -1.616
local terms energy: -366.738454
where:
bonds (distance) C4'-P energy: -78.519
bonds (distance) P-C4' energy: -72.970
flat angles C4'-P-C4' energy: -68.660
flat angles P-C4'-P energy: -52.451
tors. eta vs tors. theta energy: -94.139
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: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1104.007373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.007373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.785214 (E_RNA)
where:
Base-Base interactions energy: -759.043
where: short stacking energy: -323.741
Base-Backbone interact. energy: 1.956
local terms energy: -351.698240
where:
bonds (distance) C4'-P energy: -64.048
bonds (distance) P-C4' energy: -65.068
flat angles C4'-P-C4' energy: -76.222
flat angles P-C4'-P energy: -52.272
tors. eta vs tors. theta energy: -94.089
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: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1082.988248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.988248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.047343 (E_RNA)
where:
Base-Base interactions energy: -761.151
where: short stacking energy: -324.393
Base-Backbone interact. energy: -2.451
local terms energy: -322.444686
where:
bonds (distance) C4'-P energy: -59.308
bonds (distance) P-C4' energy: -62.635
flat angles C4'-P-C4' energy: -76.266
flat angles P-C4'-P energy: -41.566
tors. eta vs tors. theta energy: -82.670
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: 6, replica: 10
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1016.049299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.049299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.862827 (E_RNA)
where:
Base-Base interactions energy: -709.957
where: short stacking energy: -284.777
Base-Backbone interact. energy: -0.771
local terms energy: -310.135020
where:
bonds (distance) C4'-P energy: -62.246
bonds (distance) P-C4' energy: -55.985
flat angles C4'-P-C4' energy: -66.569
flat angles P-C4'-P energy: -48.816
tors. eta vs tors. theta energy: -76.519
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: 7, replica: 3
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -979.889286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.889286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.535077 (E_RNA)
where:
Base-Base interactions energy: -676.624
where: short stacking energy: -277.687
Base-Backbone interact. energy: -0.694
local terms energy: -307.217046
where:
bonds (distance) C4'-P energy: -46.585
bonds (distance) P-C4' energy: -70.279
flat angles C4'-P-C4' energy: -65.746
flat angles P-C4'-P energy: -51.408
tors. eta vs tors. theta energy: -73.199
Dist. restrs. and SS energy: 4.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -979.665847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.665847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.214198 (E_RNA)
where:
Base-Base interactions energy: -672.459
where: short stacking energy: -288.361
Base-Backbone interact. energy: 0.315
local terms energy: -310.070949
where:
bonds (distance) C4'-P energy: -55.623
bonds (distance) P-C4' energy: -71.092
flat angles C4'-P-C4' energy: -65.686
flat angles P-C4'-P energy: -50.097
tors. eta vs tors. theta energy: -67.574
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: 9, replica: 7
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -913.734283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.734283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.687912 (E_RNA)
where:
Base-Base interactions energy: -653.967
where: short stacking energy: -256.654
Base-Backbone interact. energy: -0.495
local terms energy: -263.225512
where:
bonds (distance) C4'-P energy: -50.870
bonds (distance) P-C4' energy: -50.331
flat angles C4'-P-C4' energy: -54.863
flat angles P-C4'-P energy: -43.945
tors. eta vs tors. theta energy: -63.217
Dist. restrs. and SS energy: 3.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -838.627545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.627545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.921685 (E_RNA)
where:
Base-Base interactions energy: -591.356
where: short stacking energy: -241.521
Base-Backbone interact. energy: -0.978
local terms energy: -254.587806
where:
bonds (distance) C4'-P energy: -57.533
bonds (distance) P-C4' energy: -42.761
flat angles C4'-P-C4' energy: -59.757
flat angles P-C4'-P energy: -32.893
tors. eta vs tors. theta energy: -61.644
Dist. restrs. and SS energy: 8.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1253.642368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.642368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.723936 (E_RNA)
where:
Base-Base interactions energy: -865.616
where: short stacking energy: -345.104
Base-Backbone interact. energy: -0.830
local terms energy: -392.278748
where:
bonds (distance) C4'-P energy: -81.958
bonds (distance) P-C4' energy: -77.741
flat angles C4'-P-C4' energy: -78.380
flat angles P-C4'-P energy: -59.588
tors. eta vs tors. theta energy: -94.611
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: 2, replica: 2
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1222.964924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.964924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.351180 (E_RNA)
where:
Base-Base interactions energy: -846.871
where: short stacking energy: -364.281
Base-Backbone interact. energy: -1.917
local terms energy: -379.563388
where:
bonds (distance) C4'-P energy: -75.621
bonds (distance) P-C4' energy: -63.898
flat angles C4'-P-C4' energy: -81.915
flat angles P-C4'-P energy: -56.513
tors. eta vs tors. theta energy: -101.617
Dist. restrs. and SS energy: 5.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1194.164746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.164746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.948108 (E_RNA)
where:
Base-Base interactions energy: -845.653
where: short stacking energy: -340.593
Base-Backbone interact. energy: -2.252
local terms energy: -349.042402
where:
bonds (distance) C4'-P energy: -59.820
bonds (distance) P-C4' energy: -62.188
flat angles C4'-P-C4' energy: -76.218
flat angles P-C4'-P energy: -48.518
tors. eta vs tors. theta energy: -102.299
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: 4, replica: 6
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1135.346674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.346674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.951251 (E_RNA)
where:
Base-Base interactions energy: -789.553
where: short stacking energy: -307.994
Base-Backbone interact. energy: -2.446
local terms energy: -345.952374
where:
bonds (distance) C4'-P energy: -67.740
bonds (distance) P-C4' energy: -66.252
flat angles C4'-P-C4' energy: -77.841
flat angles P-C4'-P energy: -46.419
tors. eta vs tors. theta energy: -87.700
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: 5, replica: 8
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1079.330462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.330462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.681268 (E_RNA)
where:
Base-Base interactions energy: -754.701
where: short stacking energy: -319.884
Base-Backbone interact. energy: -0.113
local terms energy: -333.867378
where:
bonds (distance) C4'-P energy: -62.285
bonds (distance) P-C4' energy: -61.529
flat angles C4'-P-C4' energy: -67.613
flat angles P-C4'-P energy: -54.988
tors. eta vs tors. theta energy: -87.452
Dist. restrs. and SS energy: 9.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1023.681213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.681213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.788034 (E_RNA)
where:
Base-Base interactions energy: -716.573
where: short stacking energy: -293.172
Base-Backbone interact. energy: -1.096
local terms energy: -315.119564
where:
bonds (distance) C4'-P energy: -56.326
bonds (distance) P-C4' energy: -64.426
flat angles C4'-P-C4' energy: -63.397
flat angles P-C4'-P energy: -49.835
tors. eta vs tors. theta energy: -81.136
Dist. restrs. and SS energy: 9.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -969.376761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.376761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.906800 (E_RNA)
where:
Base-Base interactions energy: -690.820
where: short stacking energy: -293.937
Base-Backbone interact. energy: 0.542
local terms energy: -292.628351
where:
bonds (distance) C4'-P energy: -48.684
bonds (distance) P-C4' energy: -66.098
flat angles C4'-P-C4' energy: -61.193
flat angles P-C4'-P energy: -34.265
tors. eta vs tors. theta energy: -82.388
Dist. restrs. and SS energy: 13.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -956.371258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.371258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.034035 (E_RNA)
where:
Base-Base interactions energy: -640.504
where: short stacking energy: -266.307
Base-Backbone interact. energy: 0.982
local terms energy: -319.512255
where:
bonds (distance) C4'-P energy: -63.043
bonds (distance) P-C4' energy: -56.540
flat angles C4'-P-C4' energy: -76.844
flat angles P-C4'-P energy: -48.662
tors. eta vs tors. theta energy: -74.424
Dist. restrs. and SS energy: 2.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -914.218144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.218144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.995964 (E_RNA)
where:
Base-Base interactions energy: -638.164
where: short stacking energy: -244.590
Base-Backbone interact. energy: 2.549
local terms energy: -280.380466
where:
bonds (distance) C4'-P energy: -53.670
bonds (distance) P-C4' energy: -66.000
flat angles C4'-P-C4' energy: -54.451
flat angles P-C4'-P energy: -37.290
tors. eta vs tors. theta energy: -68.970
Dist. restrs. and SS energy: 1.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -818.414463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.414463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.696460 (E_RNA)
where:
Base-Base interactions energy: -593.125
where: short stacking energy: -239.415
Base-Backbone interact. energy: -0.667
local terms energy: -234.903767
where:
bonds (distance) C4'-P energy: -51.650
bonds (distance) P-C4' energy: -58.975
flat angles C4'-P-C4' energy: -68.853
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -42.071
Dist. restrs. and SS energy: 10.282 (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: 9
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1218.318940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.318940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.288555 (E_RNA)
where:
Base-Base interactions energy: -848.820
where: short stacking energy: -365.376
Base-Backbone interact. energy: -3.040
local terms energy: -370.428017
where:
bonds (distance) C4'-P energy: -68.690
bonds (distance) P-C4' energy: -72.112
flat angles C4'-P-C4' energy: -71.579
flat angles P-C4'-P energy: -54.945
tors. eta vs tors. theta energy: -103.102
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: 2, replica: 2
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1223.469492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.469492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.736964 (E_RNA)
where:
Base-Base interactions energy: -855.982
where: short stacking energy: -357.342
Base-Backbone interact. energy: -1.997
local terms energy: -368.757602
where:
bonds (distance) C4'-P energy: -68.715
bonds (distance) P-C4' energy: -72.782
flat angles C4'-P-C4' energy: -68.723
flat angles P-C4'-P energy: -48.409
tors. eta vs tors. theta energy: -110.130
Dist. restrs. and SS energy: 3.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1194.885273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.885273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.711363 (E_RNA)
where:
Base-Base interactions energy: -863.005
where: short stacking energy: -337.466
Base-Backbone interact. energy: -3.267
local terms energy: -332.439131
where:
bonds (distance) C4'-P energy: -53.709
bonds (distance) P-C4' energy: -58.888
flat angles C4'-P-C4' energy: -73.150
flat angles P-C4'-P energy: -50.448
tors. eta vs tors. theta energy: -96.244
Dist. restrs. and SS energy: 3.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1129.101716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.101716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.844566 (E_RNA)
where:
Base-Base interactions energy: -789.205
where: short stacking energy: -350.598
Base-Backbone interact. energy: -0.979
local terms energy: -342.660730
where:
bonds (distance) C4'-P energy: -60.347
bonds (distance) P-C4' energy: -65.348
flat angles C4'-P-C4' energy: -74.666
flat angles P-C4'-P energy: -45.090
tors. eta vs tors. theta energy: -97.211
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: 5, replica: 8
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1072.886956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.886956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.763827 (E_RNA)
where:
Base-Base interactions energy: -758.745
where: short stacking energy: -310.385
Base-Backbone interact. energy: -2.792
local terms energy: -318.226623
where:
bonds (distance) C4'-P energy: -58.659
bonds (distance) P-C4' energy: -61.616
flat angles C4'-P-C4' energy: -66.516
flat angles P-C4'-P energy: -45.238
tors. eta vs tors. theta energy: -86.197
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: 6, replica: 10
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1036.585825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.585825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.069800 (E_RNA)
where:
Base-Base interactions energy: -701.591
where: short stacking energy: -279.196
Base-Backbone interact. energy: -1.192
local terms energy: -341.286620
where:
bonds (distance) C4'-P energy: -52.549
bonds (distance) P-C4' energy: -72.746
flat angles C4'-P-C4' energy: -75.996
flat angles P-C4'-P energy: -50.537
tors. eta vs tors. theta energy: -89.460
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: 7, replica: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -979.617425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.617425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.779055 (E_RNA)
where:
Base-Base interactions energy: -684.365
where: short stacking energy: -273.359
Base-Backbone interact. energy: -0.168
local terms energy: -301.246514
where:
bonds (distance) C4'-P energy: -58.942
bonds (distance) P-C4' energy: -59.192
flat angles C4'-P-C4' energy: -71.663
flat angles P-C4'-P energy: -43.802
tors. eta vs tors. theta energy: -67.648
Dist. restrs. and SS energy: 6.162 (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: 3
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -934.040010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.040010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.259557 (E_RNA)
where:
Base-Base interactions energy: -634.852
where: short stacking energy: -254.973
Base-Backbone interact. energy: 0.759
local terms energy: -310.166362
where:
bonds (distance) C4'-P energy: -62.322
bonds (distance) P-C4' energy: -65.076
flat angles C4'-P-C4' energy: -69.550
flat angles P-C4'-P energy: -43.809
tors. eta vs tors. theta energy: -69.409
Dist. restrs. and SS energy: 10.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -911.172407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.172407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.262779 (E_RNA)
where:
Base-Base interactions energy: -635.463
where: short stacking energy: -256.503
Base-Backbone interact. energy: -1.605
local terms energy: -277.194822
where:
bonds (distance) C4'-P energy: -56.743
bonds (distance) P-C4' energy: -55.798
flat angles C4'-P-C4' energy: -66.031
flat angles P-C4'-P energy: -30.683
tors. eta vs tors. theta energy: -67.940
Dist. restrs. and SS energy: 3.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -858.678968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.678968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.153485 (E_RNA)
where:
Base-Base interactions energy: -629.755
where: short stacking energy: -240.188
Base-Backbone interact. energy: 2.328
local terms energy: -232.727181
where:
bonds (distance) C4'-P energy: -54.840
bonds (distance) P-C4' energy: -51.921
flat angles C4'-P-C4' energy: -46.979
flat angles P-C4'-P energy: -18.512
tors. eta vs tors. theta energy: -60.475
Dist. restrs. and SS energy: 1.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1235.517014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.517014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.379975 (E_RNA)
where:
Base-Base interactions energy: -860.796
where: short stacking energy: -346.986
Base-Backbone interact. energy: 1.256
local terms energy: -380.839847
where:
bonds (distance) C4'-P energy: -75.620
bonds (distance) P-C4' energy: -66.135
flat angles C4'-P-C4' energy: -75.278
flat angles P-C4'-P energy: -58.913
tors. eta vs tors. theta energy: -104.893
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: 4
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1245.332499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.332499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.693821 (E_RNA)
where:
Base-Base interactions energy: -883.491
where: short stacking energy: -353.026
Base-Backbone interact. energy: -1.964
local terms energy: -364.238354
where:
bonds (distance) C4'-P energy: -66.722
bonds (distance) P-C4' energy: -65.941
flat angles C4'-P-C4' energy: -76.046
flat angles P-C4'-P energy: -54.523
tors. eta vs tors. theta energy: -101.007
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: 3, replica: 2
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1167.234080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.234080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.517308 (E_RNA)
where:
Base-Base interactions energy: -812.006
where: short stacking energy: -349.788
Base-Backbone interact. energy: 3.142
local terms energy: -361.653150
where:
bonds (distance) C4'-P energy: -72.281
bonds (distance) P-C4' energy: -61.332
flat angles C4'-P-C4' energy: -75.466
flat angles P-C4'-P energy: -52.160
tors. eta vs tors. theta energy: -100.415
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: 4, replica: 6
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1127.248890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.248890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.360696 (E_RNA)
where:
Base-Base interactions energy: -785.554
where: short stacking energy: -337.145
Base-Backbone interact. energy: -0.169
local terms energy: -346.637513
where:
bonds (distance) C4'-P energy: -60.464
bonds (distance) P-C4' energy: -71.833
flat angles C4'-P-C4' energy: -68.787
flat angles P-C4'-P energy: -45.647
tors. eta vs tors. theta energy: -99.906
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: 5, replica: 8
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1039.668996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.668996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.074987 (E_RNA)
where:
Base-Base interactions energy: -727.128
where: short stacking energy: -305.456
Base-Backbone interact. energy: 2.384
local terms energy: -324.330944
where:
bonds (distance) C4'-P energy: -57.860
bonds (distance) P-C4' energy: -64.741
flat angles C4'-P-C4' energy: -69.357
flat angles P-C4'-P energy: -49.221
tors. eta vs tors. theta energy: -83.152
Dist. restrs. and SS energy: 9.406 (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: 1
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1050.558889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.558889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.143487 (E_RNA)
where:
Base-Base interactions energy: -736.165
where: short stacking energy: -300.670
Base-Backbone interact. energy: -0.240
local terms energy: -314.738574
where:
bonds (distance) C4'-P energy: -57.506
bonds (distance) P-C4' energy: -56.573
flat angles C4'-P-C4' energy: -63.687
flat angles P-C4'-P energy: -51.565
tors. eta vs tors. theta energy: -85.407
Dist. restrs. and SS energy: 0.585 (S_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: 337
Temperature: 1.200000
Total energy: -1003.638909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.638909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.138180 (E_RNA)
where:
Base-Base interactions energy: -705.086
where: short stacking energy: -299.476
Base-Backbone interact. energy: -2.572
local terms energy: -303.480423
where:
bonds (distance) C4'-P energy: -49.359
bonds (distance) P-C4' energy: -59.428
flat angles C4'-P-C4' energy: -71.963
flat angles P-C4'-P energy: -46.326
tors. eta vs tors. theta energy: -76.405
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: 8, replica: 3
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -955.199342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.199342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.880251 (E_RNA)
where:
Base-Base interactions energy: -683.290
where: short stacking energy: -270.357
Base-Backbone interact. energy: -4.482
local terms energy: -277.108952
where:
bonds (distance) C4'-P energy: -54.993
bonds (distance) P-C4' energy: -56.524
flat angles C4'-P-C4' energy: -57.892
flat angles P-C4'-P energy: -46.362
tors. eta vs tors. theta energy: -61.338
Dist. restrs. and SS energy: 9.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -923.812042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.812042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.057376 (E_RNA)
where:
Base-Base interactions energy: -673.035
where: short stacking energy: -263.380
Base-Backbone interact. energy: 0.133
local terms energy: -258.154793
where:
bonds (distance) C4'-P energy: -46.753
bonds (distance) P-C4' energy: -52.321
flat angles C4'-P-C4' energy: -60.802
flat angles P-C4'-P energy: -41.125
tors. eta vs tors. theta energy: -57.154
Dist. restrs. and SS energy: 7.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -851.932332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.932332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.698949 (E_RNA)
where:
Base-Base interactions energy: -597.820
where: short stacking energy: -233.485
Base-Backbone interact. energy: -0.833
local terms energy: -261.046507
where:
bonds (distance) C4'-P energy: -56.066
bonds (distance) P-C4' energy: -55.735
flat angles C4'-P-C4' energy: -63.162
flat angles P-C4'-P energy: -32.394
tors. eta vs tors. theta energy: -53.689
Dist. restrs. and SS energy: 7.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1255.280106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.280106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.771347 (E_RNA)
where:
Base-Base interactions energy: -866.937
where: short stacking energy: -365.471
Base-Backbone interact. energy: -2.281
local terms energy: -390.553537
where:
bonds (distance) C4'-P energy: -76.191
bonds (distance) P-C4' energy: -74.719
flat angles C4'-P-C4' energy: -78.255
flat angles P-C4'-P energy: -55.166
tors. eta vs tors. theta energy: -106.223
Dist. restrs. and SS energy: 4.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1242.030026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.030026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.907417 (E_RNA)
where:
Base-Base interactions energy: -877.584
where: short stacking energy: -349.377
Base-Backbone interact. energy: -2.403
local terms energy: -364.920784
where:
bonds (distance) C4'-P energy: -71.052
bonds (distance) P-C4' energy: -62.526
flat angles C4'-P-C4' energy: -77.711
flat angles P-C4'-P energy: -49.047
tors. eta vs tors. theta energy: -104.585
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: 2
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1156.217926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.217926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.398248 (E_RNA)
where:
Base-Base interactions energy: -808.323
where: short stacking energy: -345.111
Base-Backbone interact. energy: 0.126
local terms energy: -351.201168
where:
bonds (distance) C4'-P energy: -61.071
bonds (distance) P-C4' energy: -70.280
flat angles C4'-P-C4' energy: -79.314
flat angles P-C4'-P energy: -41.636
tors. eta vs tors. theta energy: -98.900
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: 6
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1159.984088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.984088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.968675 (E_RNA)
where:
Base-Base interactions energy: -804.927
where: short stacking energy: -347.111
Base-Backbone interact. energy: -4.418
local terms energy: -355.623181
where:
bonds (distance) C4'-P energy: -66.210
bonds (distance) P-C4' energy: -73.728
flat angles C4'-P-C4' energy: -67.988
flat angles P-C4'-P energy: -52.876
tors. eta vs tors. theta energy: -94.820
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: 1
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1064.192604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.192604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.018634 (E_RNA)
where:
Base-Base interactions energy: -748.692
where: short stacking energy: -302.605
Base-Backbone interact. energy: -1.883
local terms energy: -316.443701
where:
bonds (distance) C4'-P energy: -60.112
bonds (distance) P-C4' energy: -71.392
flat angles C4'-P-C4' energy: -66.080
flat angles P-C4'-P energy: -36.545
tors. eta vs tors. theta energy: -82.314
Dist. restrs. and SS energy: 2.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1029.104567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.104567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.952507 (E_RNA)
where:
Base-Base interactions energy: -717.204
where: short stacking energy: -308.292
Base-Backbone interact. energy: 1.922
local terms energy: -323.670804
where:
bonds (distance) C4'-P energy: -59.913
bonds (distance) P-C4' energy: -71.152
flat angles C4'-P-C4' energy: -63.794
flat angles P-C4'-P energy: -37.880
tors. eta vs tors. theta energy: -90.932
Dist. restrs. and SS energy: 9.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -967.719808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.719808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.923259 (E_RNA)
where:
Base-Base interactions energy: -698.713
where: short stacking energy: -270.260
Base-Backbone interact. energy: -0.429
local terms energy: -272.781969
where:
bonds (distance) C4'-P energy: -47.698
bonds (distance) P-C4' energy: -53.922
flat angles C4'-P-C4' energy: -72.806
flat angles P-C4'-P energy: -38.183
tors. eta vs tors. theta energy: -60.173
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: 8, replica: 10
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1021.207810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.207810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.423178 (E_RNA)
where:
Base-Base interactions energy: -710.186
where: short stacking energy: -298.460
Base-Backbone interact. energy: -1.470
local terms energy: -314.767221
where:
bonds (distance) C4'-P energy: -64.283
bonds (distance) P-C4' energy: -52.972
flat angles C4'-P-C4' energy: -69.142
flat angles P-C4'-P energy: -46.915
tors. eta vs tors. theta energy: -81.454
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: 5
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -861.272631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.272631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.339981 (E_RNA)
where:
Base-Base interactions energy: -604.674
where: short stacking energy: -238.243
Base-Backbone interact. energy: -1.538
local terms energy: -263.128231
where:
bonds (distance) C4'-P energy: -61.713
bonds (distance) P-C4' energy: -55.453
flat angles C4'-P-C4' energy: -62.865
flat angles P-C4'-P energy: -28.600
tors. eta vs tors. theta energy: -54.498
Dist. restrs. and SS energy: 8.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -903.115826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.115826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.519166 (E_RNA)
where:
Base-Base interactions energy: -640.544
where: short stacking energy: -254.820
Base-Backbone interact. energy: -1.855
local terms energy: -263.119924
where:
bonds (distance) C4'-P energy: -44.513
bonds (distance) P-C4' energy: -51.517
flat angles C4'-P-C4' energy: -62.719
flat angles P-C4'-P energy: -40.480
tors. eta vs tors. theta energy: -63.890
Dist. restrs. and SS energy: 2.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1254.556004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.556004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.458854 (E_RNA)
where:
Base-Base interactions energy: -857.454
where: short stacking energy: -361.456
Base-Backbone interact. energy: -0.747
local terms energy: -402.258631
where:
bonds (distance) C4'-P energy: -72.842
bonds (distance) P-C4' energy: -74.212
flat angles C4'-P-C4' energy: -85.834
flat angles P-C4'-P energy: -59.028
tors. eta vs tors. theta energy: -110.343
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: 2, replica: 2
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1186.071462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.071462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.566655 (E_RNA)
where:
Base-Base interactions energy: -849.428
where: short stacking energy: -364.760
Base-Backbone interact. energy: -2.560
local terms energy: -338.579319
where:
bonds (distance) C4'-P energy: -61.030
bonds (distance) P-C4' energy: -56.030
flat angles C4'-P-C4' energy: -77.984
flat angles P-C4'-P energy: -43.506
tors. eta vs tors. theta energy: -100.029
Dist. restrs. and SS energy: 4.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1209.639372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.639372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.092120 (E_RNA)
where:
Base-Base interactions energy: -834.923
where: short stacking energy: -330.457
Base-Backbone interact. energy: -1.845
local terms energy: -376.323676
where:
bonds (distance) C4'-P energy: -84.790
bonds (distance) P-C4' energy: -66.449
flat angles C4'-P-C4' energy: -72.588
flat angles P-C4'-P energy: -49.065
tors. eta vs tors. theta energy: -103.431
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: 4, replica: 6
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1151.593865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.593865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.075052 (E_RNA)
where:
Base-Base interactions energy: -797.526
where: short stacking energy: -327.322
Base-Backbone interact. energy: -1.069
local terms energy: -353.480135
where:
bonds (distance) C4'-P energy: -52.564
bonds (distance) P-C4' energy: -68.946
flat angles C4'-P-C4' energy: -73.347
flat angles P-C4'-P energy: -55.410
tors. eta vs tors. theta energy: -103.213
Dist. restrs. and SS energy: 0.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1058.843486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.843486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.248707 (E_RNA)
where:
Base-Base interactions energy: -736.353
where: short stacking energy: -307.322
Base-Backbone interact. energy: -1.688
local terms energy: -322.208157
where:
bonds (distance) C4'-P energy: -58.937
bonds (distance) P-C4' energy: -63.487
flat angles C4'-P-C4' energy: -68.497
flat angles P-C4'-P energy: -45.177
tors. eta vs tors. theta energy: -86.109
Dist. restrs. and SS energy: 1.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1021.767184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.767184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.006905 (E_RNA)
where:
Base-Base interactions energy: -717.510
where: short stacking energy: -291.254
Base-Backbone interact. energy: -2.362
local terms energy: -306.134936
where:
bonds (distance) C4'-P energy: -57.885
bonds (distance) P-C4' energy: -57.250
flat angles C4'-P-C4' energy: -66.123
flat angles P-C4'-P energy: -45.108
tors. eta vs tors. theta energy: -79.770
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: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -989.210124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.210124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.304514 (E_RNA)
where:
Base-Base interactions energy: -696.614
where: short stacking energy: -284.444
Base-Backbone interact. energy: -1.758
local terms energy: -297.932963
where:
bonds (distance) C4'-P energy: -64.730
bonds (distance) P-C4' energy: -60.620
flat angles C4'-P-C4' energy: -68.693
flat angles P-C4'-P energy: -33.390
tors. eta vs tors. theta energy: -70.500
Dist. restrs. and SS energy: 7.094 (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: 10
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1016.255431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.255431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.606143 (E_RNA)
where:
Base-Base interactions energy: -715.945
where: short stacking energy: -287.809
Base-Backbone interact. energy: -1.695
local terms energy: -304.966570
where:
bonds (distance) C4'-P energy: -59.668
bonds (distance) P-C4' energy: -60.490
flat angles C4'-P-C4' energy: -67.202
flat angles P-C4'-P energy: -35.089
tors. eta vs tors. theta energy: -82.517
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: 9, replica: 5
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -862.555078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.555078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.741109 (E_RNA)
where:
Base-Base interactions energy: -598.088
where: short stacking energy: -227.593
Base-Backbone interact. energy: 1.380
local terms energy: -270.033187
where:
bonds (distance) C4'-P energy: -58.275
bonds (distance) P-C4' energy: -56.687
flat angles C4'-P-C4' energy: -68.252
flat angles P-C4'-P energy: -32.927
tors. eta vs tors. theta energy: -53.892
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: 10, replica: 7
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -871.666930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.666930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.496402 (E_RNA)
where:
Base-Base interactions energy: -606.911
where: short stacking energy: -240.163
Base-Backbone interact. energy: 0.143
local terms energy: -269.728012
where:
bonds (distance) C4'-P energy: -56.254
bonds (distance) P-C4' energy: -54.510
flat angles C4'-P-C4' energy: -64.942
flat angles P-C4'-P energy: -39.020
tors. eta vs tors. theta energy: -55.002
Dist. restrs. and SS energy: 4.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1229.340287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.340287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.706234 (E_RNA)
where:
Base-Base interactions energy: -849.472
where: short stacking energy: -366.568
Base-Backbone interact. energy: -1.894
local terms energy: -382.340621
where:
bonds (distance) C4'-P energy: -78.276
bonds (distance) P-C4' energy: -70.225
flat angles C4'-P-C4' energy: -74.535
flat angles P-C4'-P energy: -58.993
tors. eta vs tors. theta energy: -100.311
Dist. restrs. and SS energy: 4.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1224.581420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.581420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.609783 (E_RNA)
where:
Base-Base interactions energy: -854.361
where: short stacking energy: -350.330
Base-Backbone interact. energy: 1.401
local terms energy: -377.650539
where:
bonds (distance) C4'-P energy: -70.761
bonds (distance) P-C4' energy: -66.670
flat angles C4'-P-C4' energy: -78.802
flat angles P-C4'-P energy: -61.386
tors. eta vs tors. theta energy: -100.031
Dist. restrs. and SS energy: 6.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1199.911073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.911073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.894270 (E_RNA)
where:
Base-Base interactions energy: -838.824
where: short stacking energy: -331.606
Base-Backbone interact. energy: 0.652
local terms energy: -365.722126
where:
bonds (distance) C4'-P energy: -65.628
bonds (distance) P-C4' energy: -62.998
flat angles C4'-P-C4' energy: -81.248
flat angles P-C4'-P energy: -55.222
tors. eta vs tors. theta energy: -100.626
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: 4, replica: 6
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1134.722559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.722559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.978501 (E_RNA)
where:
Base-Base interactions energy: -785.981
where: short stacking energy: -320.946
Base-Backbone interact. energy: -2.769
local terms energy: -347.228106
where:
bonds (distance) C4'-P energy: -63.486
bonds (distance) P-C4' energy: -68.689
flat angles C4'-P-C4' energy: -71.869
flat angles P-C4'-P energy: -53.037
tors. eta vs tors. theta energy: -90.147
Dist. restrs. and SS energy: 1.256 (S_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: -1088.578912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.578912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.698194 (E_RNA)
where:
Base-Base interactions energy: -765.098
where: short stacking energy: -322.288
Base-Backbone interact. energy: -1.428
local terms energy: -327.171477
where:
bonds (distance) C4'-P energy: -61.428
bonds (distance) P-C4' energy: -63.817
flat angles C4'-P-C4' energy: -70.351
flat angles P-C4'-P energy: -44.671
tors. eta vs tors. theta energy: -86.904
Dist. restrs. and SS energy: 5.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1014.510925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.510925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.586782 (E_RNA)
where:
Base-Base interactions energy: -697.730
where: short stacking energy: -272.122
Base-Backbone interact. energy: -1.859
local terms energy: -318.998423
where:
bonds (distance) C4'-P energy: -68.892
bonds (distance) P-C4' energy: -65.053
flat angles C4'-P-C4' energy: -74.689
flat angles P-C4'-P energy: -42.180
tors. eta vs tors. theta energy: -68.185
Dist. restrs. and SS energy: 4.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1017.250908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.250908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.714214 (E_RNA)
where:
Base-Base interactions energy: -714.321
where: short stacking energy: -296.960
Base-Backbone interact. energy: 0.440
local terms energy: -311.833574
where:
bonds (distance) C4'-P energy: -56.048
bonds (distance) P-C4' energy: -60.443
flat angles C4'-P-C4' energy: -74.726
flat angles P-C4'-P energy: -38.762
tors. eta vs tors. theta energy: -81.855
Dist. restrs. and SS energy: 8.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -967.450096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.450096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.628693 (E_RNA)
where:
Base-Base interactions energy: -683.189
where: short stacking energy: -272.946
Base-Backbone interact. energy: 1.418
local terms energy: -291.857420
where:
bonds (distance) C4'-P energy: -47.909
bonds (distance) P-C4' energy: -67.763
flat angles C4'-P-C4' energy: -69.223
flat angles P-C4'-P energy: -32.712
tors. eta vs tors. theta energy: -74.250
Dist. restrs. and SS energy: 6.179 (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: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -903.828476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.828476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.523775 (E_RNA)
where:
Base-Base interactions energy: -622.535
where: short stacking energy: -260.748
Base-Backbone interact. energy: -0.072
local terms energy: -288.917231
where:
bonds (distance) C4'-P energy: -45.449
bonds (distance) P-C4' energy: -58.463
flat angles C4'-P-C4' energy: -76.173
flat angles P-C4'-P energy: -50.207
tors. eta vs tors. theta energy: -58.625
Dist. restrs. and SS energy: 7.695 (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: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -864.945812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.945812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.374243 (E_RNA)
where:
Base-Base interactions energy: -601.224
where: short stacking energy: -237.883
Base-Backbone interact. energy: -2.082
local terms energy: -266.068142
where:
bonds (distance) C4'-P energy: -59.961
bonds (distance) P-C4' energy: -61.189
flat angles C4'-P-C4' energy: -51.322
flat angles P-C4'-P energy: -37.045
tors. eta vs tors. theta energy: -56.550
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: 1, replica: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1241.908515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.908515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.747345 (E_RNA)
where:
Base-Base interactions energy: -876.456
where: short stacking energy: -369.113
Base-Backbone interact. energy: -0.243
local terms energy: -368.048430
where:
bonds (distance) C4'-P energy: -73.333
bonds (distance) P-C4' energy: -57.922
flat angles C4'-P-C4' energy: -73.372
flat angles P-C4'-P energy: -58.790
tors. eta vs tors. theta energy: -104.631
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: 2, replica: 4
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1230.419141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.419141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.834929 (E_RNA)
where:
Base-Base interactions energy: -867.063
where: short stacking energy: -355.871
Base-Backbone interact. energy: 0.090
local terms energy: -365.861387
where:
bonds (distance) C4'-P energy: -69.802
bonds (distance) P-C4' energy: -68.497
flat angles C4'-P-C4' energy: -73.803
flat angles P-C4'-P energy: -60.119
tors. eta vs tors. theta energy: -93.640
Dist. restrs. and SS energy: 2.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1173.389046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.389046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.872052 (E_RNA)
where:
Base-Base interactions energy: -823.920
where: short stacking energy: -330.032
Base-Backbone interact. energy: -0.948
local terms energy: -355.004882
where:
bonds (distance) C4'-P energy: -69.839
bonds (distance) P-C4' energy: -69.674
flat angles C4'-P-C4' energy: -70.861
flat angles P-C4'-P energy: -45.056
tors. eta vs tors. theta energy: -99.574
Dist. restrs. and SS energy: 6.483 (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: 341
Temperature: 1.050000
Total energy: -1105.246544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.246544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.385639 (E_RNA)
where:
Base-Base interactions energy: -751.126
where: short stacking energy: -307.517
Base-Backbone interact. energy: -1.719
local terms energy: -353.540795
where:
bonds (distance) C4'-P energy: -62.882
bonds (distance) P-C4' energy: -71.670
flat angles C4'-P-C4' energy: -75.136
flat angles P-C4'-P energy: -52.667
tors. eta vs tors. theta energy: -91.186
Dist. restrs. and SS energy: 1.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1063.001694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.001694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.709596 (E_RNA)
where:
Base-Base interactions energy: -742.349
where: short stacking energy: -286.538
Base-Backbone interact. energy: -2.225
local terms energy: -323.135455
where:
bonds (distance) C4'-P energy: -46.501
bonds (distance) P-C4' energy: -67.638
flat angles C4'-P-C4' energy: -75.639
flat angles P-C4'-P energy: -56.837
tors. eta vs tors. theta energy: -76.521
Dist. restrs. and SS energy: 4.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1045.903029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.903029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.523072 (E_RNA)
where:
Base-Base interactions energy: -725.784
where: short stacking energy: -296.918
Base-Backbone interact. energy: -1.008
local terms energy: -327.731577
where:
bonds (distance) C4'-P energy: -67.622
bonds (distance) P-C4' energy: -68.174
flat angles C4'-P-C4' energy: -70.609
flat angles P-C4'-P energy: -42.639
tors. eta vs tors. theta energy: -78.687
Dist. restrs. and SS energy: 8.620 (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: 10
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1007.438341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.438341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.996652 (E_RNA)
where:
Base-Base interactions energy: -712.311
where: short stacking energy: -284.219
Base-Backbone interact. energy: -1.730
local terms energy: -299.956237
where:
bonds (distance) C4'-P energy: -61.054
bonds (distance) P-C4' energy: -55.035
flat angles C4'-P-C4' energy: -67.652
flat angles P-C4'-P energy: -35.402
tors. eta vs tors. theta energy: -80.814
Dist. restrs. and SS energy: 6.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -990.106804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.106804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.857859 (E_RNA)
where:
Base-Base interactions energy: -674.723
where: short stacking energy: -263.905
Base-Backbone interact. energy: -1.618
local terms energy: -315.516939
where:
bonds (distance) C4'-P energy: -58.477
bonds (distance) P-C4' energy: -64.918
flat angles C4'-P-C4' energy: -70.001
flat angles P-C4'-P energy: -48.141
tors. eta vs tors. theta energy: -73.980
Dist. restrs. and SS energy: 1.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -885.434678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.434678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.740858 (E_RNA)
where:
Base-Base interactions energy: -624.657
where: short stacking energy: -244.166
Base-Backbone interact. energy: -2.339
local terms energy: -264.744584
where:
bonds (distance) C4'-P energy: -55.711
bonds (distance) P-C4' energy: -59.901
flat angles C4'-P-C4' energy: -67.600
flat angles P-C4'-P energy: -25.703
tors. eta vs tors. theta energy: -55.830
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: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -831.125830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.125830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.758120 (E_RNA)
where:
Base-Base interactions energy: -583.608
where: short stacking energy: -216.485
Base-Backbone interact. energy: 0.563
local terms energy: -256.713056
where:
bonds (distance) C4'-P energy: -44.100
bonds (distance) P-C4' energy: -60.667
flat angles C4'-P-C4' energy: -62.166
flat angles P-C4'-P energy: -33.626
tors. eta vs tors. theta energy: -56.154
Dist. restrs. and SS energy: 8.632 (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: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1257.742446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.742446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.326263 (E_RNA)
where:
Base-Base interactions energy: -876.581
where: short stacking energy: -365.626
Base-Backbone interact. energy: -2.260
local terms energy: -382.485106
where:
bonds (distance) C4'-P energy: -67.910
bonds (distance) P-C4' energy: -72.774
flat angles C4'-P-C4' energy: -78.262
flat angles P-C4'-P energy: -53.777
tors. eta vs tors. theta energy: -109.763
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: 2, replica: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1226.516863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.516863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.160717 (E_RNA)
where:
Base-Base interactions energy: -868.321
where: short stacking energy: -355.502
Base-Backbone interact. energy: -2.029
local terms energy: -359.810611
where:
bonds (distance) C4'-P energy: -66.693
bonds (distance) P-C4' energy: -62.936
flat angles C4'-P-C4' energy: -71.912
flat angles P-C4'-P energy: -59.238
tors. eta vs tors. theta energy: -99.031
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: 3, replica: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1194.538096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.538096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.790115 (E_RNA)
where:
Base-Base interactions energy: -844.642
where: short stacking energy: -328.888
Base-Backbone interact. energy: -3.507
local terms energy: -351.640819
where:
bonds (distance) C4'-P energy: -57.961
bonds (distance) P-C4' energy: -74.219
flat angles C4'-P-C4' energy: -71.126
flat angles P-C4'-P energy: -50.831
tors. eta vs tors. theta energy: -97.504
Dist. restrs. and SS energy: 5.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1117.368766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.368766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.449404 (E_RNA)
where:
Base-Base interactions energy: -762.118
where: short stacking energy: -313.709
Base-Backbone interact. energy: -1.650
local terms energy: -354.681099
where:
bonds (distance) C4'-P energy: -69.960
bonds (distance) P-C4' energy: -73.284
flat angles C4'-P-C4' energy: -74.068
flat angles P-C4'-P energy: -48.697
tors. eta vs tors. theta energy: -88.673
Dist. restrs. and SS energy: 1.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1076.800517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.800517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.219061 (E_RNA)
where:
Base-Base interactions energy: -746.601
where: short stacking energy: -312.397
Base-Backbone interact. energy: -0.181
local terms energy: -336.437304
where:
bonds (distance) C4'-P energy: -70.764
bonds (distance) P-C4' energy: -63.076
flat angles C4'-P-C4' energy: -70.264
flat angles P-C4'-P energy: -48.166
tors. eta vs tors. theta energy: -84.169
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: 6, replica: 3
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1034.001284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.001284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.918121 (E_RNA)
where:
Base-Base interactions energy: -720.336
where: short stacking energy: -289.225
Base-Backbone interact. energy: -1.407
local terms energy: -318.174737
where:
bonds (distance) C4'-P energy: -69.668
bonds (distance) P-C4' energy: -53.776
flat angles C4'-P-C4' energy: -70.197
flat angles P-C4'-P energy: -43.998
tors. eta vs tors. theta energy: -80.536
Dist. restrs. and SS energy: 5.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -989.533758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.533758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.930661 (E_RNA)
where:
Base-Base interactions energy: -695.383
where: short stacking energy: -275.928
Base-Backbone interact. energy: -2.296
local terms energy: -298.251585
where:
bonds (distance) C4'-P energy: -52.882
bonds (distance) P-C4' energy: -65.591
flat angles C4'-P-C4' energy: -71.863
flat angles P-C4'-P energy: -36.472
tors. eta vs tors. theta energy: -71.443
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: 8, replica: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -954.685031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.685031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.316080 (E_RNA)
where:
Base-Base interactions energy: -670.969
where: short stacking energy: -262.072
Base-Backbone interact. energy: -1.350
local terms energy: -283.996808
where:
bonds (distance) C4'-P energy: -47.599
bonds (distance) P-C4' energy: -62.203
flat angles C4'-P-C4' energy: -64.279
flat angles P-C4'-P energy: -42.561
tors. eta vs tors. theta energy: -67.354
Dist. restrs. and SS energy: 1.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -882.675241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.675241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.001683 (E_RNA)
where:
Base-Base interactions energy: -634.944
where: short stacking energy: -252.835
Base-Backbone interact. energy: 1.820
local terms energy: -258.878543
where:
bonds (distance) C4'-P energy: -45.498
bonds (distance) P-C4' energy: -60.148
flat angles C4'-P-C4' energy: -58.364
flat angles P-C4'-P energy: -40.441
tors. eta vs tors. theta energy: -54.427
Dist. restrs. and SS energy: 9.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -886.291566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.291566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.965479 (E_RNA)
where:
Base-Base interactions energy: -637.208
where: short stacking energy: -260.340
Base-Backbone interact. energy: 3.753
local terms energy: -268.510639
where:
bonds (distance) C4'-P energy: -51.931
bonds (distance) P-C4' energy: -50.205
flat angles C4'-P-C4' energy: -68.776
flat angles P-C4'-P energy: -37.294
tors. eta vs tors. theta energy: -60.305
Dist. restrs. and SS energy: 15.674 (S_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: 343
Temperature: 0.900000
Total energy: -1253.169190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.169190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.304038 (E_RNA)
where:
Base-Base interactions energy: -859.913
where: short stacking energy: -364.008
Base-Backbone interact. energy: -4.389
local terms energy: -392.001401
where:
bonds (distance) C4'-P energy: -73.392
bonds (distance) P-C4' energy: -74.542
flat angles C4'-P-C4' energy: -80.197
flat angles P-C4'-P energy: -58.113
tors. eta vs tors. theta energy: -105.758
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: 2, replica: 9
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1212.036356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.036356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.918254 (E_RNA)
where:
Base-Base interactions energy: -852.726
where: short stacking energy: -337.096
Base-Backbone interact. energy: -0.778
local terms energy: -364.414570
where:
bonds (distance) C4'-P energy: -67.466
bonds (distance) P-C4' energy: -68.047
flat angles C4'-P-C4' energy: -80.069
flat angles P-C4'-P energy: -47.442
tors. eta vs tors. theta energy: -101.391
Dist. restrs. and SS energy: 5.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1200.102324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.102324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.588216 (E_RNA)
where:
Base-Base interactions energy: -852.465
where: short stacking energy: -354.288
Base-Backbone interact. energy: -1.420
local terms energy: -349.703378
where:
bonds (distance) C4'-P energy: -47.970
bonds (distance) P-C4' energy: -67.311
flat angles C4'-P-C4' energy: -82.385
flat angles P-C4'-P energy: -53.663
tors. eta vs tors. theta energy: -98.374
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: 6
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1094.385968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.385968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.079586 (E_RNA)
where:
Base-Base interactions energy: -759.218
where: short stacking energy: -315.430
Base-Backbone interact. energy: -0.311
local terms energy: -335.549938
where:
bonds (distance) C4'-P energy: -60.602
bonds (distance) P-C4' energy: -77.322
flat angles C4'-P-C4' energy: -68.799
flat angles P-C4'-P energy: -43.302
tors. eta vs tors. theta energy: -85.525
Dist. restrs. and SS energy: 0.694 (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: 1
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1080.952038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.952038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.816870 (E_RNA)
where:
Base-Base interactions energy: -754.533
where: short stacking energy: -316.387
Base-Backbone interact. energy: -0.127
local terms energy: -328.156077
where:
bonds (distance) C4'-P energy: -64.009
bonds (distance) P-C4' energy: -55.722
flat angles C4'-P-C4' energy: -73.771
flat angles P-C4'-P energy: -45.685
tors. eta vs tors. theta energy: -88.969
Dist. restrs. and SS energy: 1.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1035.704237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.704237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.086462 (E_RNA)
where:
Base-Base interactions energy: -748.386
where: short stacking energy: -295.503
Base-Backbone interact. energy: -0.025
local terms energy: -293.675237
where:
bonds (distance) C4'-P energy: -61.051
bonds (distance) P-C4' energy: -55.916
flat angles C4'-P-C4' energy: -61.461
flat angles P-C4'-P energy: -44.407
tors. eta vs tors. theta energy: -70.841
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: 7, replica: 10
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -983.274029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.274029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.141614 (E_RNA)
where:
Base-Base interactions energy: -711.132
where: short stacking energy: -275.011
Base-Backbone interact. energy: 0.119
local terms energy: -276.128302
where:
bonds (distance) C4'-P energy: -44.442
bonds (distance) P-C4' energy: -51.439
flat angles C4'-P-C4' energy: -63.779
flat angles P-C4'-P energy: -43.716
tors. eta vs tors. theta energy: -72.752
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: 8, replica: 7
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -918.800462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.800462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.620021 (E_RNA)
where:
Base-Base interactions energy: -653.353
where: short stacking energy: -241.709
Base-Backbone interact. energy: 0.528
local terms energy: -269.795330
where:
bonds (distance) C4'-P energy: -56.539
bonds (distance) P-C4' energy: -49.320
flat angles C4'-P-C4' energy: -67.500
flat angles P-C4'-P energy: -38.927
tors. eta vs tors. theta energy: -57.510
Dist. restrs. and SS energy: 3.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -903.555280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.555280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.900957 (E_RNA)
where:
Base-Base interactions energy: -623.152
where: short stacking energy: -254.229
Base-Backbone interact. energy: -0.318
local terms energy: -286.430287
where:
bonds (distance) C4'-P energy: -66.933
bonds (distance) P-C4' energy: -51.088
flat angles C4'-P-C4' energy: -60.172
flat angles P-C4'-P energy: -39.985
tors. eta vs tors. theta energy: -68.252
Dist. restrs. and SS energy: 6.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -827.264495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.264495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.354686 (E_RNA)
where:
Base-Base interactions energy: -573.224
where: short stacking energy: -220.736
Base-Backbone interact. energy: -0.866
local terms energy: -258.264292
where:
bonds (distance) C4'-P energy: -58.367
bonds (distance) P-C4' energy: -39.994
flat angles C4'-P-C4' energy: -63.621
flat angles P-C4'-P energy: -36.700
tors. eta vs tors. theta energy: -59.583
Dist. restrs. and SS energy: 5.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1267.629038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.629038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.848254 (E_RNA)
where:
Base-Base interactions energy: -887.118
where: short stacking energy: -360.581
Base-Backbone interact. energy: -4.287
local terms energy: -379.443189
where:
bonds (distance) C4'-P energy: -66.554
bonds (distance) P-C4' energy: -72.434
flat angles C4'-P-C4' energy: -76.787
flat angles P-C4'-P energy: -64.624
tors. eta vs tors. theta energy: -99.044
Dist. restrs. and SS energy: 3.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1209.023988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.023988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.907717 (E_RNA)
where:
Base-Base interactions energy: -850.565
where: short stacking energy: -346.281
Base-Backbone interact. energy: -3.190
local terms energy: -360.152272
where:
bonds (distance) C4'-P energy: -62.213
bonds (distance) P-C4' energy: -66.924
flat angles C4'-P-C4' energy: -82.095
flat angles P-C4'-P energy: -50.047
tors. eta vs tors. theta energy: -98.873
Dist. restrs. and SS energy: 4.884 (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: 4
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1215.756315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.756315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.987200 (E_RNA)
where:
Base-Base interactions energy: -854.490
where: short stacking energy: -341.247
Base-Backbone interact. energy: -1.046
local terms energy: -363.450982
where:
bonds (distance) C4'-P energy: -63.838
bonds (distance) P-C4' energy: -74.134
flat angles C4'-P-C4' energy: -78.827
flat angles P-C4'-P energy: -46.474
tors. eta vs tors. theta energy: -100.178
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: 6
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1107.577928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.577928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.521232 (E_RNA)
where:
Base-Base interactions energy: -774.168
where: short stacking energy: -315.424
Base-Backbone interact. energy: -3.646
local terms energy: -330.706794
where:
bonds (distance) C4'-P energy: -58.918
bonds (distance) P-C4' energy: -60.486
flat angles C4'-P-C4' energy: -73.093
flat angles P-C4'-P energy: -48.859
tors. eta vs tors. theta energy: -89.351
Dist. restrs. and SS energy: 0.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1074.139918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.139918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.109497 (E_RNA)
where:
Base-Base interactions energy: -744.635
where: short stacking energy: -309.382
Base-Backbone interact. energy: -3.095
local terms energy: -328.379851
where:
bonds (distance) C4'-P energy: -60.142
bonds (distance) P-C4' energy: -63.115
flat angles C4'-P-C4' energy: -73.969
flat angles P-C4'-P energy: -51.311
tors. eta vs tors. theta energy: -79.842
Dist. restrs. and SS energy: 1.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1016.391178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.391178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.954817 (E_RNA)
where:
Base-Base interactions energy: -710.631
where: short stacking energy: -299.051
Base-Backbone interact. energy: -1.954
local terms energy: -308.369736
where:
bonds (distance) C4'-P energy: -73.200
bonds (distance) P-C4' energy: -46.032
flat angles C4'-P-C4' energy: -59.212
flat angles P-C4'-P energy: -50.883
tors. eta vs tors. theta energy: -79.043
Dist. restrs. and SS energy: 4.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1000.744668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.744668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.491544 (E_RNA)
where:
Base-Base interactions energy: -709.091
where: short stacking energy: -296.411
Base-Backbone interact. energy: -1.215
local terms energy: -293.185848
where:
bonds (distance) C4'-P energy: -52.087
bonds (distance) P-C4' energy: -56.174
flat angles C4'-P-C4' energy: -68.341
flat angles P-C4'-P energy: -35.083
tors. eta vs tors. theta energy: -81.500
Dist. restrs. and SS energy: 2.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -943.710199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.710199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.234909 (E_RNA)
where:
Base-Base interactions energy: -683.582
where: short stacking energy: -247.823
Base-Backbone interact. energy: -1.516
local terms energy: -263.136443
where:
bonds (distance) C4'-P energy: -44.507
bonds (distance) P-C4' energy: -60.090
flat angles C4'-P-C4' energy: -61.098
flat angles P-C4'-P energy: -41.397
tors. eta vs tors. theta energy: -56.044
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: 9, replica: 8
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -948.172819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.172819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.277872 (E_RNA)
where:
Base-Base interactions energy: -666.339
where: short stacking energy: -264.810
Base-Backbone interact. energy: 4.435
local terms energy: -290.373769
where:
bonds (distance) C4'-P energy: -60.124
bonds (distance) P-C4' energy: -55.533
flat angles C4'-P-C4' energy: -56.140
flat angles P-C4'-P energy: -45.654
tors. eta vs tors. theta energy: -72.923
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: 10, replica: 5
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -852.319784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.319784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.249997 (E_RNA)
where:
Base-Base interactions energy: -604.259
where: short stacking energy: -227.960
Base-Backbone interact. energy: -0.033
local terms energy: -252.957490
where:
bonds (distance) C4'-P energy: -49.804
bonds (distance) P-C4' energy: -54.211
flat angles C4'-P-C4' energy: -56.417
flat angles P-C4'-P energy: -37.413
tors. eta vs tors. theta energy: -55.112
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: 2
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1259.077989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.077989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.218667 (E_RNA)
where:
Base-Base interactions energy: -889.320
where: short stacking energy: -362.960
Base-Backbone interact. energy: -2.738
local terms energy: -370.160758
where:
bonds (distance) C4'-P energy: -69.653
bonds (distance) P-C4' energy: -65.146
flat angles C4'-P-C4' energy: -81.908
flat angles P-C4'-P energy: -50.467
tors. eta vs tors. theta energy: -102.987
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: 9
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1223.319585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.319585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.363429 (E_RNA)
where:
Base-Base interactions energy: -856.258
where: short stacking energy: -348.223
Base-Backbone interact. energy: -1.236
local terms energy: -372.870162
where:
bonds (distance) C4'-P energy: -67.342
bonds (distance) P-C4' energy: -76.107
flat angles C4'-P-C4' energy: -83.136
flat angles P-C4'-P energy: -46.083
tors. eta vs tors. theta energy: -100.201
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: 3, replica: 4
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1198.785497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.785497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.458370 (E_RNA)
where:
Base-Base interactions energy: -863.500
where: short stacking energy: -340.399
Base-Backbone interact. energy: -1.787
local terms energy: -337.170885
where:
bonds (distance) C4'-P energy: -59.917
bonds (distance) P-C4' energy: -53.423
flat angles C4'-P-C4' energy: -82.099
flat angles P-C4'-P energy: -47.266
tors. eta vs tors. theta energy: -94.466
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: 4, replica: 6
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1120.596289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.596289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.044087 (E_RNA)
where:
Base-Base interactions energy: -776.405
where: short stacking energy: -327.557
Base-Backbone interact. energy: -1.379
local terms energy: -343.260051
where:
bonds (distance) C4'-P energy: -60.235
bonds (distance) P-C4' energy: -57.318
flat angles C4'-P-C4' energy: -69.294
flat angles P-C4'-P energy: -58.410
tors. eta vs tors. theta energy: -98.002
Dist. restrs. and SS energy: 0.448 (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: 1
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1079.536141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.536141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.940423 (E_RNA)
where:
Base-Base interactions energy: -737.170
where: short stacking energy: -305.786
Base-Backbone interact. energy: -1.261
local terms energy: -347.509489
where:
bonds (distance) C4'-P energy: -67.365
bonds (distance) P-C4' energy: -63.134
flat angles C4'-P-C4' energy: -79.563
flat angles P-C4'-P energy: -50.891
tors. eta vs tors. theta energy: -86.557
Dist. restrs. and SS energy: 6.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1028.750107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.750107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.995977 (E_RNA)
where:
Base-Base interactions energy: -710.824
where: short stacking energy: -295.900
Base-Backbone interact. energy: 4.875
local terms energy: -331.046704
where:
bonds (distance) C4'-P energy: -56.716
bonds (distance) P-C4' energy: -67.316
flat angles C4'-P-C4' energy: -76.106
flat angles P-C4'-P energy: -53.898
tors. eta vs tors. theta energy: -77.010
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: 7, replica: 3
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1004.684040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.684040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.626896 (E_RNA)
where:
Base-Base interactions energy: -708.320
where: short stacking energy: -291.768
Base-Backbone interact. energy: -2.439
local terms energy: -298.868142
where:
bonds (distance) C4'-P energy: -55.032
bonds (distance) P-C4' energy: -63.158
flat angles C4'-P-C4' energy: -62.612
flat angles P-C4'-P energy: -41.450
tors. eta vs tors. theta energy: -76.617
Dist. restrs. and SS energy: 4.943 (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: 345
Temperature: 1.250000
Total energy: -946.769521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.769521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.440832 (E_RNA)
where:
Base-Base interactions energy: -673.033
where: short stacking energy: -280.340
Base-Backbone interact. energy: 2.584
local terms energy: -278.992582
where:
bonds (distance) C4'-P energy: -46.249
bonds (distance) P-C4' energy: -59.018
flat angles C4'-P-C4' energy: -68.757
flat angles P-C4'-P energy: -40.331
tors. eta vs tors. theta energy: -64.638
Dist. restrs. and SS energy: 2.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -938.217152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.217152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.269091 (E_RNA)
where:
Base-Base interactions energy: -646.358
where: short stacking energy: -255.259
Base-Backbone interact. energy: 3.328
local terms energy: -299.239184
where:
bonds (distance) C4'-P energy: -57.598
bonds (distance) P-C4' energy: -53.077
flat angles C4'-P-C4' energy: -71.629
flat angles P-C4'-P energy: -45.836
tors. eta vs tors. theta energy: -71.101
Dist. restrs. and SS energy: 4.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -834.359697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.359697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.717507 (E_RNA)
where:
Base-Base interactions energy: -589.149
where: short stacking energy: -233.714
Base-Backbone interact. energy: -2.378
local terms energy: -257.190745
where:
bonds (distance) C4'-P energy: -49.883
bonds (distance) P-C4' energy: -62.409
flat angles C4'-P-C4' energy: -57.278
flat angles P-C4'-P energy: -34.700
tors. eta vs tors. theta energy: -52.922
Dist. restrs. and SS energy: 14.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1254.781053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.781053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.655167 (E_RNA)
where:
Base-Base interactions energy: -889.330
where: short stacking energy: -374.805
Base-Backbone interact. energy: -2.224
local terms energy: -367.100491
where:
bonds (distance) C4'-P energy: -64.651
bonds (distance) P-C4' energy: -67.987
flat angles C4'-P-C4' energy: -74.195
flat angles P-C4'-P energy: -49.805
tors. eta vs tors. theta energy: -110.462
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: 2, replica: 9
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1233.356727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.356727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.621298 (E_RNA)
where:
Base-Base interactions energy: -869.878
where: short stacking energy: -352.383
Base-Backbone interact. energy: -4.092
local terms energy: -363.651058
where:
bonds (distance) C4'-P energy: -51.508
bonds (distance) P-C4' energy: -77.705
flat angles C4'-P-C4' energy: -75.227
flat angles P-C4'-P energy: -57.684
tors. eta vs tors. theta energy: -101.527
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: 3, replica: 4
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1190.590635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.590635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.445456 (E_RNA)
where:
Base-Base interactions energy: -829.334
where: short stacking energy: -313.133
Base-Backbone interact. energy: -4.434
local terms energy: -358.677075
where:
bonds (distance) C4'-P energy: -66.482
bonds (distance) P-C4' energy: -67.330
flat angles C4'-P-C4' energy: -76.619
flat angles P-C4'-P energy: -60.389
tors. eta vs tors. theta energy: -87.857
Dist. restrs. and SS energy: 1.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1137.349698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.349698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.623688 (E_RNA)
where:
Base-Base interactions energy: -769.815
where: short stacking energy: -319.225
Base-Backbone interact. energy: -3.203
local terms energy: -365.606265
where:
bonds (distance) C4'-P energy: -68.068
bonds (distance) P-C4' energy: -65.647
flat angles C4'-P-C4' energy: -78.623
flat angles P-C4'-P energy: -56.143
tors. eta vs tors. theta energy: -97.126
Dist. restrs. and SS energy: 1.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1068.170345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.170345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.879315 (E_RNA)
where:
Base-Base interactions energy: -727.095
where: short stacking energy: -308.065
Base-Backbone interact. energy: -2.348
local terms energy: -345.436983
where:
bonds (distance) C4'-P energy: -68.932
bonds (distance) P-C4' energy: -62.958
flat angles C4'-P-C4' energy: -75.348
flat angles P-C4'-P energy: -54.614
tors. eta vs tors. theta energy: -83.586
Dist. restrs. and SS energy: 6.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1043.939164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.939164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.952333 (E_RNA)
where:
Base-Base interactions energy: -719.440
where: short stacking energy: -298.117
Base-Backbone interact. energy: 0.635
local terms energy: -326.147226
where:
bonds (distance) C4'-P energy: -60.789
bonds (distance) P-C4' energy: -70.640
flat angles C4'-P-C4' energy: -78.191
flat angles P-C4'-P energy: -42.775
tors. eta vs tors. theta energy: -73.752
Dist. restrs. and SS energy: 1.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -981.322037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.322037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.432818 (E_RNA)
where:
Base-Base interactions energy: -693.119
where: short stacking energy: -272.393
Base-Backbone interact. energy: -1.847
local terms energy: -291.467273
where:
bonds (distance) C4'-P energy: -44.583
bonds (distance) P-C4' energy: -61.806
flat angles C4'-P-C4' energy: -70.343
flat angles P-C4'-P energy: -47.594
tors. eta vs tors. theta energy: -67.142
Dist. restrs. and SS energy: 5.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -944.403206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.403206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.682824 (E_RNA)
where:
Base-Base interactions energy: -651.459
where: short stacking energy: -268.056
Base-Backbone interact. energy: 2.900
local terms energy: -297.123200
where:
bonds (distance) C4'-P energy: -61.654
bonds (distance) P-C4' energy: -70.985
flat angles C4'-P-C4' energy: -53.836
flat angles P-C4'-P energy: -41.531
tors. eta vs tors. theta energy: -69.118
Dist. restrs. and SS energy: 1.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -941.105708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.105708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.133989 (E_RNA)
where:
Base-Base interactions energy: -654.128
where: short stacking energy: -263.184
Base-Backbone interact. energy: -1.961
local terms energy: -288.045374
where:
bonds (distance) C4'-P energy: -49.235
bonds (distance) P-C4' energy: -74.880
flat angles C4'-P-C4' energy: -57.510
flat angles P-C4'-P energy: -34.043
tors. eta vs tors. theta energy: -72.378
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: 10, replica: 5
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -835.660928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.660928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.898744 (E_RNA)
where:
Base-Base interactions energy: -578.733
where: short stacking energy: -235.414
Base-Backbone interact. energy: 0.212
local terms energy: -265.378300
where:
bonds (distance) C4'-P energy: -62.257
bonds (distance) P-C4' energy: -53.520
flat angles C4'-P-C4' energy: -56.326
flat angles P-C4'-P energy: -38.342
tors. eta vs tors. theta energy: -54.933
Dist. restrs. and SS energy: 8.238 (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: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1266.353084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.353084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.677473 (E_RNA)
where:
Base-Base interactions energy: -870.697
where: short stacking energy: -375.850
Base-Backbone interact. energy: -0.177
local terms energy: -398.803515
where:
bonds (distance) C4'-P energy: -75.714
bonds (distance) P-C4' energy: -71.419
flat angles C4'-P-C4' energy: -82.713
flat angles P-C4'-P energy: -57.542
tors. eta vs tors. theta energy: -111.416
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: 2, replica: 4
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1228.669997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.669997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.190999 (E_RNA)
where:
Base-Base interactions energy: -871.643
where: short stacking energy: -351.824
Base-Backbone interact. energy: -2.994
local terms energy: -357.554128
where:
bonds (distance) C4'-P energy: -67.276
bonds (distance) P-C4' energy: -68.338
flat angles C4'-P-C4' energy: -74.339
flat angles P-C4'-P energy: -55.235
tors. eta vs tors. theta energy: -92.367
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: 3, replica: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1160.754661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.754661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.653397 (E_RNA)
where:
Base-Base interactions energy: -822.245
where: short stacking energy: -328.755
Base-Backbone interact. energy: 2.393
local terms energy: -345.802022
where:
bonds (distance) C4'-P energy: -68.541
bonds (distance) P-C4' energy: -64.182
flat angles C4'-P-C4' energy: -78.492
flat angles P-C4'-P energy: -49.140
tors. eta vs tors. theta energy: -85.447
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: 4, replica: 6
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1122.168001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.168001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.729194 (E_RNA)
where:
Base-Base interactions energy: -780.475
where: short stacking energy: -316.765
Base-Backbone interact. energy: -0.229
local terms energy: -342.025079
where:
bonds (distance) C4'-P energy: -69.959
bonds (distance) P-C4' energy: -57.382
flat angles C4'-P-C4' energy: -80.747
flat angles P-C4'-P energy: -50.468
tors. eta vs tors. theta energy: -83.469
Dist. restrs. and SS energy: 0.561 (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: 1
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1046.915896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.915896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.214580 (E_RNA)
where:
Base-Base interactions energy: -741.169
where: short stacking energy: -294.718
Base-Backbone interact. energy: -1.576
local terms energy: -310.469718
where:
bonds (distance) C4'-P energy: -59.471
bonds (distance) P-C4' energy: -68.660
flat angles C4'-P-C4' energy: -73.063
flat angles P-C4'-P energy: -38.969
tors. eta vs tors. theta energy: -70.307
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: 6, replica: 10
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1024.241088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.241088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.815321 (E_RNA)
where:
Base-Base interactions energy: -713.833
where: short stacking energy: -294.698
Base-Backbone interact. energy: 0.432
local terms energy: -315.414445
where:
bonds (distance) C4'-P energy: -46.066
bonds (distance) P-C4' energy: -65.283
flat angles C4'-P-C4' energy: -72.579
flat angles P-C4'-P energy: -42.410
tors. eta vs tors. theta energy: -89.076
Dist. restrs. and SS energy: 4.574 (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: 3
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -977.510142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.510142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.000114 (E_RNA)
where:
Base-Base interactions energy: -665.618
where: short stacking energy: -279.865
Base-Backbone interact. energy: -2.261
local terms energy: -313.121394
where:
bonds (distance) C4'-P energy: -56.674
bonds (distance) P-C4' energy: -59.120
flat angles C4'-P-C4' energy: -70.801
flat angles P-C4'-P energy: -44.937
tors. eta vs tors. theta energy: -81.590
Dist. restrs. and SS energy: 3.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -968.622513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.622513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.372565 (E_RNA)
where:
Base-Base interactions energy: -679.967
where: short stacking energy: -286.864
Base-Backbone interact. energy: -2.553
local terms energy: -287.852304
where:
bonds (distance) C4'-P energy: -46.306
bonds (distance) P-C4' energy: -59.255
flat angles C4'-P-C4' energy: -66.930
flat angles P-C4'-P energy: -47.046
tors. eta vs tors. theta energy: -68.316
Dist. restrs. and SS energy: 1.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -918.224838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.224838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.094902 (E_RNA)
where:
Base-Base interactions energy: -651.485
where: short stacking energy: -249.868
Base-Backbone interact. energy: -2.027
local terms energy: -271.582147
where:
bonds (distance) C4'-P energy: -54.912
bonds (distance) P-C4' energy: -49.283
flat angles C4'-P-C4' energy: -68.577
flat angles P-C4'-P energy: -32.028
tors. eta vs tors. theta energy: -66.782
Dist. restrs. and SS energy: 6.870 (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: 5
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -817.506654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.506654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.012150 (E_RNA)
where:
Base-Base interactions energy: -595.372
where: short stacking energy: -236.082
Base-Backbone interact. energy: -0.911
local terms energy: -227.729682
where:
bonds (distance) C4'-P energy: -39.166
bonds (distance) P-C4' energy: -49.401
flat angles C4'-P-C4' energy: -66.001
flat angles P-C4'-P energy: -35.050
tors. eta vs tors. theta energy: -38.112
Dist. restrs. and SS energy: 6.505 (S_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: 348
Temperature: 0.900000
Total energy: -1255.294013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.294013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.593382 (E_RNA)
where:
Base-Base interactions energy: -871.340
where: short stacking energy: -364.101
Base-Backbone interact. energy: -2.481
local terms energy: -384.771807
where:
bonds (distance) C4'-P energy: -63.263
bonds (distance) P-C4' energy: -74.448
flat angles C4'-P-C4' energy: -81.510
flat angles P-C4'-P energy: -54.483
tors. eta vs tors. theta energy: -111.068
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: 2, replica: 4
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1213.773199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.773199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.005989 (E_RNA)
where:
Base-Base interactions energy: -839.798
where: short stacking energy: -351.253
Base-Backbone interact. energy: -1.554
local terms energy: -375.653804
where:
bonds (distance) C4'-P energy: -68.574
bonds (distance) P-C4' energy: -64.550
flat angles C4'-P-C4' energy: -84.554
flat angles P-C4'-P energy: -63.957
tors. eta vs tors. theta energy: -94.019
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: 3, replica: 9
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1200.244295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.244295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.059558 (E_RNA)
where:
Base-Base interactions energy: -831.094
where: short stacking energy: -345.407
Base-Backbone interact. energy: -2.227
local terms energy: -371.738896
where:
bonds (distance) C4'-P energy: -60.617
bonds (distance) P-C4' energy: -66.836
flat angles C4'-P-C4' energy: -82.837
flat angles P-C4'-P energy: -55.134
tors. eta vs tors. theta energy: -106.315
Dist. restrs. and SS energy: 4.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1126.329530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.329530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.393547 (E_RNA)
where:
Base-Base interactions energy: -793.399
where: short stacking energy: -311.619
Base-Backbone interact. energy: -1.150
local terms energy: -332.844611
where:
bonds (distance) C4'-P energy: -63.732
bonds (distance) P-C4' energy: -67.571
flat angles C4'-P-C4' energy: -73.962
flat angles P-C4'-P energy: -48.363
tors. eta vs tors. theta energy: -79.218
Dist. restrs. and SS energy: 1.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1057.093955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.093955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.215360 (E_RNA)
where:
Base-Base interactions energy: -723.342
where: short stacking energy: -286.540
Base-Backbone interact. energy: -0.902
local terms energy: -334.970912
where:
bonds (distance) C4'-P energy: -74.227
bonds (distance) P-C4' energy: -63.209
flat angles C4'-P-C4' energy: -66.193
flat angles P-C4'-P energy: -49.342
tors. eta vs tors. theta energy: -82.000
Dist. restrs. and SS energy: 2.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1053.328222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.328222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.954399 (E_RNA)
where:
Base-Base interactions energy: -738.542
where: short stacking energy: -301.521
Base-Backbone interact. energy: 0.866
local terms energy: -324.278357
where:
bonds (distance) C4'-P energy: -56.121
bonds (distance) P-C4' energy: -60.073
flat angles C4'-P-C4' energy: -75.361
flat angles P-C4'-P energy: -47.982
tors. eta vs tors. theta energy: -84.742
Dist. restrs. and SS energy: 8.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -996.212895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.212895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.357278 (E_RNA)
where:
Base-Base interactions energy: -682.246
where: short stacking energy: -281.001
Base-Backbone interact. energy: 0.020
local terms energy: -317.131305
where:
bonds (distance) C4'-P energy: -69.283
bonds (distance) P-C4' energy: -63.325
flat angles C4'-P-C4' energy: -72.073
flat angles P-C4'-P energy: -40.577
tors. eta vs tors. theta energy: -71.873
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: 8, replica: 3
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -945.885737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.885737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.139713 (E_RNA)
where:
Base-Base interactions energy: -658.975
where: short stacking energy: -265.856
Base-Backbone interact. energy: -2.364
local terms energy: -290.800635
where:
bonds (distance) C4'-P energy: -54.955
bonds (distance) P-C4' energy: -54.614
flat angles C4'-P-C4' energy: -64.785
flat angles P-C4'-P energy: -42.593
tors. eta vs tors. theta energy: -73.853
Dist. restrs. and SS energy: 6.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -873.145801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.145801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.437103 (E_RNA)
where:
Base-Base interactions energy: -615.333
where: short stacking energy: -224.502
Base-Backbone interact. energy: -2.590
local terms energy: -260.513963
where:
bonds (distance) C4'-P energy: -60.301
bonds (distance) P-C4' energy: -61.142
flat angles C4'-P-C4' energy: -58.791
flat angles P-C4'-P energy: -23.704
tors. eta vs tors. theta energy: -56.575
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: 10, replica: 8
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -916.334905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.334905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.331386 (E_RNA)
where:
Base-Base interactions energy: -620.978
where: short stacking energy: -235.518
Base-Backbone interact. energy: -1.736
local terms energy: -296.616992
where:
bonds (distance) C4'-P energy: -65.190
bonds (distance) P-C4' energy: -63.174
flat angles C4'-P-C4' energy: -73.027
flat angles P-C4'-P energy: -35.272
tors. eta vs tors. theta energy: -59.954
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: 1, replica: 2
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1262.042519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.042519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.441830 (E_RNA)
where:
Base-Base interactions energy: -890.535
where: short stacking energy: -378.629
Base-Backbone interact. energy: -2.825
local terms energy: -372.081523
where:
bonds (distance) C4'-P energy: -64.628
bonds (distance) P-C4' energy: -64.934
flat angles C4'-P-C4' energy: -81.189
flat angles P-C4'-P energy: -53.226
tors. eta vs tors. theta energy: -108.105
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: 2, replica: 4
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1217.427867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.427867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.690602 (E_RNA)
where:
Base-Base interactions energy: -833.728
where: short stacking energy: -346.374
Base-Backbone interact. energy: -1.602
local terms energy: -384.360018
where:
bonds (distance) C4'-P energy: -78.389
bonds (distance) P-C4' energy: -74.919
flat angles C4'-P-C4' energy: -72.259
flat angles P-C4'-P energy: -56.676
tors. eta vs tors. theta energy: -102.116
Dist. restrs. and SS energy: 2.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1188.197496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.197496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.448399 (E_RNA)
where:
Base-Base interactions energy: -836.826
where: short stacking energy: -343.743
Base-Backbone interact. energy: -1.717
local terms energy: -355.905970
where:
bonds (distance) C4'-P energy: -65.578
bonds (distance) P-C4' energy: -61.869
flat angles C4'-P-C4' energy: -74.221
flat angles P-C4'-P energy: -52.999
tors. eta vs tors. theta energy: -101.239
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: 4, replica: 10
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1112.964979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.964979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.602474 (E_RNA)
where:
Base-Base interactions energy: -776.815
where: short stacking energy: -317.694
Base-Backbone interact. energy: -3.043
local terms energy: -334.744078
where:
bonds (distance) C4'-P energy: -63.847
bonds (distance) P-C4' energy: -55.407
flat angles C4'-P-C4' energy: -73.509
flat angles P-C4'-P energy: -48.481
tors. eta vs tors. theta energy: -93.500
Dist. restrs. and SS energy: 1.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1083.757052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.757052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.012127 (E_RNA)
where:
Base-Base interactions energy: -764.902
where: short stacking energy: -306.324
Base-Backbone interact. energy: -1.202
local terms energy: -318.908540
where:
bonds (distance) C4'-P energy: -59.898
bonds (distance) P-C4' energy: -60.648
flat angles C4'-P-C4' energy: -65.501
flat angles P-C4'-P energy: -47.692
tors. eta vs tors. theta energy: -85.169
Dist. restrs. and SS energy: 1.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1039.589047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.589047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.269111 (E_RNA)
where:
Base-Base interactions energy: -708.722
where: short stacking energy: -295.716
Base-Backbone interact. energy: -2.875
local terms energy: -331.671240
where:
bonds (distance) C4'-P energy: -52.714
bonds (distance) P-C4' energy: -57.251
flat angles C4'-P-C4' energy: -77.908
flat angles P-C4'-P energy: -49.109
tors. eta vs tors. theta energy: -94.689
Dist. restrs. and SS energy: 3.680 (S_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: 349
Temperature: 1.200000
Total energy: -971.131655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.131655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.403390 (E_RNA)
where:
Base-Base interactions energy: -680.271
where: short stacking energy: -287.539
Base-Backbone interact. energy: -1.071
local terms energy: -296.062122
where:
bonds (distance) C4'-P energy: -52.116
bonds (distance) P-C4' energy: -66.845
flat angles C4'-P-C4' energy: -71.313
flat angles P-C4'-P energy: -30.192
tors. eta vs tors. theta energy: -75.597
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: 8, replica: 3
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -926.713403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.713403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.191292 (E_RNA)
where:
Base-Base interactions energy: -643.825
where: short stacking energy: -247.793
Base-Backbone interact. energy: 1.436
local terms energy: -290.801434
where:
bonds (distance) C4'-P energy: -56.378
bonds (distance) P-C4' energy: -68.712
flat angles C4'-P-C4' energy: -65.333
flat angles P-C4'-P energy: -48.488
tors. eta vs tors. theta energy: -51.890
Dist. restrs. and SS energy: 6.478 (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: 5
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -881.313403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.313403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.626016 (E_RNA)
where:
Base-Base interactions energy: -622.668
where: short stacking energy: -235.926
Base-Backbone interact. energy: -1.159
local terms energy: -262.798352
where:
bonds (distance) C4'-P energy: -59.735
bonds (distance) P-C4' energy: -41.727
flat angles C4'-P-C4' energy: -59.519
flat angles P-C4'-P energy: -49.256
tors. eta vs tors. theta energy: -52.561
Dist. restrs. and SS energy: 5.313 (S_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: 349
Temperature: 1.350000
Total energy: -907.292281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.292281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.823068 (E_RNA)
where:
Base-Base interactions energy: -637.915
where: short stacking energy: -267.976
Base-Backbone interact. energy: -0.838
local terms energy: -273.069918
where:
bonds (distance) C4'-P energy: -52.914
bonds (distance) P-C4' energy: -48.564
flat angles C4'-P-C4' energy: -72.634
flat angles P-C4'-P energy: -34.352
tors. eta vs tors. theta energy: -64.606
Dist. restrs. and SS energy: 4.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1251.996052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.996052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.444230 (E_RNA)
where:
Base-Base interactions energy: -886.397
where: short stacking energy: -381.675
Base-Backbone interact. energy: 0.316
local terms energy: -368.362609
where:
bonds (distance) C4'-P energy: -60.102
bonds (distance) P-C4' energy: -62.786
flat angles C4'-P-C4' energy: -78.651
flat angles P-C4'-P energy: -55.180
tors. eta vs tors. theta energy: -111.643
Dist. restrs. and SS energy: 2.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1209.806407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.806407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.065452 (E_RNA)
where:
Base-Base interactions energy: -858.953
where: short stacking energy: -346.810
Base-Backbone interact. energy: -1.547
local terms energy: -352.565436
where:
bonds (distance) C4'-P energy: -63.218
bonds (distance) P-C4' energy: -57.695
flat angles C4'-P-C4' energy: -83.409
flat angles P-C4'-P energy: -51.104
tors. eta vs tors. theta energy: -97.139
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: 3, replica: 9
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1164.502714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.502714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.227413 (E_RNA)
where:
Base-Base interactions energy: -840.756
where: short stacking energy: -341.397
Base-Backbone interact. energy: -1.605
local terms energy: -328.866222
where:
bonds (distance) C4'-P energy: -52.803
bonds (distance) P-C4' energy: -60.690
flat angles C4'-P-C4' energy: -70.137
flat angles P-C4'-P energy: -47.421
tors. eta vs tors. theta energy: -97.815
Dist. restrs. and SS energy: 6.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1110.218483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.218483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.096622 (E_RNA)
where:
Base-Base interactions energy: -761.508
where: short stacking energy: -315.876
Base-Backbone interact. energy: 0.401
local terms energy: -349.989108
where:
bonds (distance) C4'-P energy: -64.742
bonds (distance) P-C4' energy: -65.271
flat angles C4'-P-C4' energy: -78.472
flat angles P-C4'-P energy: -50.509
tors. eta vs tors. theta energy: -90.996
Dist. restrs. and SS energy: 0.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1084.184150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.184150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.374417 (E_RNA)
where:
Base-Base interactions energy: -752.201
where: short stacking energy: -316.132
Base-Backbone interact. energy: -2.996
local terms energy: -333.177279
where:
bonds (distance) C4'-P energy: -52.740
bonds (distance) P-C4' energy: -64.141
flat angles C4'-P-C4' energy: -70.446
flat angles P-C4'-P energy: -53.312
tors. eta vs tors. theta energy: -92.538
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: 1
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1018.198378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.198378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.977198 (E_RNA)
where:
Base-Base interactions energy: -712.802
where: short stacking energy: -297.628
Base-Backbone interact. energy: -0.811
local terms energy: -305.364188
where:
bonds (distance) C4'-P energy: -51.357
bonds (distance) P-C4' energy: -63.601
flat angles C4'-P-C4' energy: -81.946
flat angles P-C4'-P energy: -44.145
tors. eta vs tors. theta energy: -64.315
Dist. restrs. and SS energy: 0.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -957.696496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.696496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.229701 (E_RNA)
where:
Base-Base interactions energy: -675.284
where: short stacking energy: -265.241
Base-Backbone interact. energy: 1.217
local terms energy: -287.163457
where:
bonds (distance) C4'-P energy: -55.304
bonds (distance) P-C4' energy: -54.459
flat angles C4'-P-C4' energy: -65.757
flat angles P-C4'-P energy: -45.224
tors. eta vs tors. theta energy: -66.419
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: 8, replica: 3
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -958.453894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.453894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.811811 (E_RNA)
where:
Base-Base interactions energy: -664.066
where: short stacking energy: -259.236
Base-Backbone interact. energy: -1.461
local terms energy: -296.284281
where:
bonds (distance) C4'-P energy: -58.465
bonds (distance) P-C4' energy: -64.777
flat angles C4'-P-C4' energy: -63.231
flat angles P-C4'-P energy: -41.120
tors. eta vs tors. theta energy: -68.691
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: 9, replica: 8
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -959.941608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.941608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.938365 (E_RNA)
where:
Base-Base interactions energy: -671.565
where: short stacking energy: -273.582
Base-Backbone interact. energy: 1.813
local terms energy: -294.186767
where:
bonds (distance) C4'-P energy: -61.998
bonds (distance) P-C4' energy: -52.785
flat angles C4'-P-C4' energy: -67.853
flat angles P-C4'-P energy: -39.112
tors. eta vs tors. theta energy: -72.439
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: 10, replica: 5
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -836.394491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.394491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.658627 (E_RNA)
where:
Base-Base interactions energy: -585.861
where: short stacking energy: -243.885
Base-Backbone interact. energy: -2.243
local terms energy: -255.554699
where:
bonds (distance) C4'-P energy: -48.560
bonds (distance) P-C4' energy: -59.705
flat angles C4'-P-C4' energy: -66.125
flat angles P-C4'-P energy: -26.416
tors. eta vs tors. theta energy: -54.750
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: 1, replica: 2
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1237.832319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.832319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.288059 (E_RNA)
where:
Base-Base interactions energy: -848.807
where: short stacking energy: -362.468
Base-Backbone interact. energy: -1.465
local terms energy: -391.016080
where:
bonds (distance) C4'-P energy: -71.843
bonds (distance) P-C4' energy: -78.452
flat angles C4'-P-C4' energy: -76.525
flat angles P-C4'-P energy: -54.363
tors. eta vs tors. theta energy: -109.833
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: 2, replica: 4
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1214.188676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.188676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.222739 (E_RNA)
where:
Base-Base interactions energy: -865.708
where: short stacking energy: -339.055
Base-Backbone interact. energy: -2.146
local terms energy: -349.369444
where:
bonds (distance) C4'-P energy: -54.087
bonds (distance) P-C4' energy: -71.688
flat angles C4'-P-C4' energy: -82.010
flat angles P-C4'-P energy: -47.799
tors. eta vs tors. theta energy: -93.787
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: 3, replica: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1162.589079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.589079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.750636 (E_RNA)
where:
Base-Base interactions energy: -816.156
where: short stacking energy: -306.851
Base-Backbone interact. energy: 0.894
local terms energy: -354.488635
where:
bonds (distance) C4'-P energy: -66.325
bonds (distance) P-C4' energy: -61.977
flat angles C4'-P-C4' energy: -77.395
flat angles P-C4'-P energy: -63.956
tors. eta vs tors. theta energy: -84.836
Dist. restrs. and SS energy: 7.162 (S_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: 351
Temperature: 1.050000
Total energy: -1098.090658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.090658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.183446 (E_RNA)
where:
Base-Base interactions energy: -763.143
where: short stacking energy: -319.334
Base-Backbone interact. energy: -0.544
local terms energy: -335.496911
where:
bonds (distance) C4'-P energy: -69.714
bonds (distance) P-C4' energy: -53.507
flat angles C4'-P-C4' energy: -75.450
flat angles P-C4'-P energy: -50.203
tors. eta vs tors. theta energy: -86.623
Dist. restrs. and SS energy: 1.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1065.540982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.540982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.714540 (E_RNA)
where:
Base-Base interactions energy: -751.229
where: short stacking energy: -307.603
Base-Backbone interact. energy: -1.695
local terms energy: -313.790466
where:
bonds (distance) C4'-P energy: -59.068
bonds (distance) P-C4' energy: -58.181
flat angles C4'-P-C4' energy: -72.193
flat angles P-C4'-P energy: -43.370
tors. eta vs tors. theta energy: -80.980
Dist. restrs. and SS energy: 1.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1020.984418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.984418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.688283 (E_RNA)
where:
Base-Base interactions energy: -697.102
where: short stacking energy: -283.006
Base-Backbone interact. energy: -1.576
local terms energy: -328.010827
where:
bonds (distance) C4'-P energy: -61.508
bonds (distance) P-C4' energy: -67.256
flat angles C4'-P-C4' energy: -75.494
flat angles P-C4'-P energy: -54.942
tors. eta vs tors. theta energy: -68.811
Dist. restrs. and SS energy: 5.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -993.981159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.981159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.992441 (E_RNA)
where:
Base-Base interactions energy: -697.337
where: short stacking energy: -266.729
Base-Backbone interact. energy: -0.032
local terms energy: -299.623399
where:
bonds (distance) C4'-P energy: -59.039
bonds (distance) P-C4' energy: -53.505
flat angles C4'-P-C4' energy: -76.975
flat angles P-C4'-P energy: -38.805
tors. eta vs tors. theta energy: -71.299
Dist. restrs. and SS energy: 3.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -965.268062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.268062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.609721 (E_RNA)
where:
Base-Base interactions energy: -669.146
where: short stacking energy: -275.959
Base-Backbone interact. energy: 0.151
local terms energy: -303.615169
where:
bonds (distance) C4'-P energy: -56.429
bonds (distance) P-C4' energy: -64.678
flat angles C4'-P-C4' energy: -72.014
flat angles P-C4'-P energy: -38.848
tors. eta vs tors. theta energy: -71.646
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: 9, replica: 3
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -931.140470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.140470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.323053 (E_RNA)
where:
Base-Base interactions energy: -643.396
where: short stacking energy: -256.793
Base-Backbone interact. energy: -2.653
local terms energy: -286.274232
where:
bonds (distance) C4'-P energy: -66.681
bonds (distance) P-C4' energy: -55.967
flat angles C4'-P-C4' energy: -58.635
flat angles P-C4'-P energy: -42.013
tors. eta vs tors. theta energy: -62.978
Dist. restrs. and SS energy: 1.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -864.779556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.779556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.615275 (E_RNA)
where:
Base-Base interactions energy: -615.711
where: short stacking energy: -235.624
Base-Backbone interact. energy: -0.391
local terms energy: -249.512910
where:
bonds (distance) C4'-P energy: -43.786
bonds (distance) P-C4' energy: -55.609
flat angles C4'-P-C4' energy: -59.512
flat angles P-C4'-P energy: -35.153
tors. eta vs tors. theta energy: -55.452
Dist. restrs. and SS energy: 0.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1245.223088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.223088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.146403 (E_RNA)
where:
Base-Base interactions energy: -876.449
where: short stacking energy: -336.412
Base-Backbone interact. energy: -3.441
local terms energy: -369.257146
where:
bonds (distance) C4'-P energy: -68.072
bonds (distance) P-C4' energy: -75.841
flat angles C4'-P-C4' energy: -81.926
flat angles P-C4'-P energy: -52.730
tors. eta vs tors. theta energy: -90.688
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: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1214.625477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.625477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.201039 (E_RNA)
where:
Base-Base interactions energy: -846.528
where: short stacking energy: -356.585
Base-Backbone interact. energy: -1.505
local terms energy: -370.167338
where:
bonds (distance) C4'-P energy: -60.691
bonds (distance) P-C4' energy: -72.015
flat angles C4'-P-C4' energy: -82.372
flat angles P-C4'-P energy: -52.029
tors. eta vs tors. theta energy: -103.060
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: 3, replica: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1186.488994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.488994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.381538 (E_RNA)
where:
Base-Base interactions energy: -825.502
where: short stacking energy: -360.713
Base-Backbone interact. energy: -1.084
local terms energy: -363.795572
where:
bonds (distance) C4'-P energy: -73.082
bonds (distance) P-C4' energy: -62.278
flat angles C4'-P-C4' energy: -78.710
flat angles P-C4'-P energy: -52.031
tors. eta vs tors. theta energy: -97.695
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: 352
Temperature: 1.050000
Total energy: -1097.833240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.833240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.169611 (E_RNA)
where:
Base-Base interactions energy: -766.096
where: short stacking energy: -324.920
Base-Backbone interact. energy: 4.674
local terms energy: -341.748066
where:
bonds (distance) C4'-P energy: -65.704
bonds (distance) P-C4' energy: -45.722
flat angles C4'-P-C4' energy: -82.848
flat angles P-C4'-P energy: -50.741
tors. eta vs tors. theta energy: -96.733
Dist. restrs. and SS energy: 5.336 (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: 6
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1050.131405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.131405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.942576 (E_RNA)
where:
Base-Base interactions energy: -731.792
where: short stacking energy: -303.582
Base-Backbone interact. energy: -2.197
local terms energy: -318.953411
where:
bonds (distance) C4'-P energy: -64.705
bonds (distance) P-C4' energy: -59.236
flat angles C4'-P-C4' energy: -64.766
flat angles P-C4'-P energy: -46.921
tors. eta vs tors. theta energy: -83.325
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: 6, replica: 1
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1020.441586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.441586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.473007 (E_RNA)
where:
Base-Base interactions energy: -678.796
where: short stacking energy: -275.620
Base-Backbone interact. energy: -0.874
local terms energy: -341.803416
where:
bonds (distance) C4'-P energy: -64.174
bonds (distance) P-C4' energy: -73.632
flat angles C4'-P-C4' energy: -79.034
flat angles P-C4'-P energy: -50.196
tors. eta vs tors. theta energy: -74.768
Dist. restrs. and SS energy: 1.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1026.455647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.455647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.280151 (E_RNA)
where:
Base-Base interactions energy: -704.636
where: short stacking energy: -289.756
Base-Backbone interact. energy: -1.771
local terms energy: -323.873180
where:
bonds (distance) C4'-P energy: -58.144
bonds (distance) P-C4' energy: -56.358
flat angles C4'-P-C4' energy: -80.641
flat angles P-C4'-P energy: -45.917
tors. eta vs tors. theta energy: -82.812
Dist. restrs. and SS energy: 3.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -949.147798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.147798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.031865 (E_RNA)
where:
Base-Base interactions energy: -672.525
where: short stacking energy: -284.423
Base-Backbone interact. energy: 3.602
local terms energy: -286.108006
where:
bonds (distance) C4'-P energy: -34.491
bonds (distance) P-C4' energy: -67.639
flat angles C4'-P-C4' energy: -67.982
flat angles P-C4'-P energy: -41.153
tors. eta vs tors. theta energy: -74.844
Dist. restrs. and SS energy: 5.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -944.495979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.495979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.457227 (E_RNA)
where:
Base-Base interactions energy: -664.186
where: short stacking energy: -256.759
Base-Backbone interact. energy: -0.800
local terms energy: -285.471067
where:
bonds (distance) C4'-P energy: -47.223
bonds (distance) P-C4' energy: -59.629
flat angles C4'-P-C4' energy: -58.694
flat angles P-C4'-P energy: -43.483
tors. eta vs tors. theta energy: -76.442
Dist. restrs. and SS energy: 5.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -883.014703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.014703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.485440 (E_RNA)
where:
Base-Base interactions energy: -618.892
where: short stacking energy: -236.277
Base-Backbone interact. energy: 1.638
local terms energy: -269.231622
where:
bonds (distance) C4'-P energy: -65.068
bonds (distance) P-C4' energy: -51.499
flat angles C4'-P-C4' energy: -52.458
flat angles P-C4'-P energy: -44.706
tors. eta vs tors. theta energy: -55.500
Dist. restrs. and SS energy: 3.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1248.435168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.435168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.725305 (E_RNA)
where:
Base-Base interactions energy: -872.367
where: short stacking energy: -348.412
Base-Backbone interact. energy: -0.654
local terms energy: -379.704300
where:
bonds (distance) C4'-P energy: -64.326
bonds (distance) P-C4' energy: -76.347
flat angles C4'-P-C4' energy: -79.295
flat angles P-C4'-P energy: -62.582
tors. eta vs tors. theta energy: -97.153
Dist. restrs. and SS energy: 4.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1209.061933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.061933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.130389 (E_RNA)
where:
Base-Base interactions energy: -857.062
where: short stacking energy: -344.558
Base-Backbone interact. energy: -1.949
local terms energy: -353.119615
where:
bonds (distance) C4'-P energy: -61.714
bonds (distance) P-C4' energy: -62.060
flat angles C4'-P-C4' energy: -71.490
flat angles P-C4'-P energy: -54.063
tors. eta vs tors. theta energy: -103.793
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: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1161.799411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.799411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.035621 (E_RNA)
where:
Base-Base interactions energy: -818.956
where: short stacking energy: -339.494
Base-Backbone interact. energy: -0.980
local terms energy: -347.100175
where:
bonds (distance) C4'-P energy: -64.987
bonds (distance) P-C4' energy: -68.554
flat angles C4'-P-C4' energy: -74.133
flat angles P-C4'-P energy: -40.926
tors. eta vs tors. theta energy: -98.500
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: 4, replica: 6
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1102.203376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.203376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.007831 (E_RNA)
where:
Base-Base interactions energy: -747.234
where: short stacking energy: -306.042
Base-Backbone interact. energy: 1.860
local terms energy: -357.633626
where:
bonds (distance) C4'-P energy: -65.265
bonds (distance) P-C4' energy: -70.617
flat angles C4'-P-C4' energy: -77.278
flat angles P-C4'-P energy: -53.211
tors. eta vs tors. theta energy: -91.263
Dist. restrs. and SS energy: 0.804 (S_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: 353
Temperature: 1.100000
Total energy: -1056.216823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.216823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.920027 (E_RNA)
where:
Base-Base interactions energy: -739.613
where: short stacking energy: -286.895
Base-Backbone interact. energy: -1.589
local terms energy: -317.718528
where:
bonds (distance) C4'-P energy: -72.428
bonds (distance) P-C4' energy: -59.656
flat angles C4'-P-C4' energy: -69.010
flat angles P-C4'-P energy: -42.989
tors. eta vs tors. theta energy: -73.635
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: 6, replica: 8
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1052.817258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.817258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.445070 (E_RNA)
where:
Base-Base interactions energy: -734.841
where: short stacking energy: -298.282
Base-Backbone interact. energy: 0.038
local terms energy: -321.641893
where:
bonds (distance) C4'-P energy: -63.123
bonds (distance) P-C4' energy: -62.318
flat angles C4'-P-C4' energy: -72.417
flat angles P-C4'-P energy: -38.790
tors. eta vs tors. theta energy: -84.993
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: 7, replica: 1
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -976.472805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.472805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.691002 (E_RNA)
where:
Base-Base interactions energy: -679.229
where: short stacking energy: -276.722
Base-Backbone interact. energy: -1.701
local terms energy: -297.760681
where:
bonds (distance) C4'-P energy: -64.859
bonds (distance) P-C4' energy: -65.052
flat angles C4'-P-C4' energy: -55.833
flat angles P-C4'-P energy: -41.746
tors. eta vs tors. theta energy: -70.271
Dist. restrs. and SS energy: 2.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -974.565608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.565608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.388107 (E_RNA)
where:
Base-Base interactions energy: -667.838
where: short stacking energy: -272.485
Base-Backbone interact. energy: -1.765
local terms energy: -311.785691
where:
bonds (distance) C4'-P energy: -62.663
bonds (distance) P-C4' energy: -63.767
flat angles C4'-P-C4' energy: -67.753
flat angles P-C4'-P energy: -38.138
tors. eta vs tors. theta energy: -79.465
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: 9, replica: 7
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -929.095579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.095579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.525241 (E_RNA)
where:
Base-Base interactions energy: -653.755
where: short stacking energy: -262.569
Base-Backbone interact. energy: 1.241
local terms energy: -283.011525
where:
bonds (distance) C4'-P energy: -52.004
bonds (distance) P-C4' energy: -71.340
flat angles C4'-P-C4' energy: -65.118
flat angles P-C4'-P energy: -36.186
tors. eta vs tors. theta energy: -58.365
Dist. restrs. and SS energy: 6.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -846.337009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.337009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.039718 (E_RNA)
where:
Base-Base interactions energy: -607.422
where: short stacking energy: -234.096
Base-Backbone interact. energy: -1.908
local terms energy: -239.709785
where:
bonds (distance) C4'-P energy: -38.445
bonds (distance) P-C4' energy: -45.589
flat angles C4'-P-C4' energy: -68.671
flat angles P-C4'-P energy: -43.917
tors. eta vs tors. theta energy: -43.088
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: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1231.490133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.490133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.082569 (E_RNA)
where:
Base-Base interactions energy: -863.016
where: short stacking energy: -357.374
Base-Backbone interact. energy: 1.069
local terms energy: -373.135848
where:
bonds (distance) C4'-P energy: -64.249
bonds (distance) P-C4' energy: -68.784
flat angles C4'-P-C4' energy: -79.824
flat angles P-C4'-P energy: -58.830
tors. eta vs tors. theta energy: -101.449
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: 2, replica: 4
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1234.025588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.025588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.046028 (E_RNA)
where:
Base-Base interactions energy: -856.761
where: short stacking energy: -346.752
Base-Backbone interact. energy: -1.213
local terms energy: -380.071878
where:
bonds (distance) C4'-P energy: -67.565
bonds (distance) P-C4' energy: -74.262
flat angles C4'-P-C4' energy: -85.225
flat angles P-C4'-P energy: -57.275
tors. eta vs tors. theta energy: -95.744
Dist. restrs. and SS energy: 4.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1166.314100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.314100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.549824 (E_RNA)
where:
Base-Base interactions energy: -817.717
where: short stacking energy: -324.431
Base-Backbone interact. energy: 1.164
local terms energy: -353.997634
where:
bonds (distance) C4'-P energy: -75.610
bonds (distance) P-C4' energy: -70.556
flat angles C4'-P-C4' energy: -72.843
flat angles P-C4'-P energy: -44.988
tors. eta vs tors. theta energy: -90.000
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: 4, replica: 6
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1085.638068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.638068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.201496 (E_RNA)
where:
Base-Base interactions energy: -749.761
where: short stacking energy: -319.292
Base-Backbone interact. energy: -0.940
local terms energy: -336.500151
where:
bonds (distance) C4'-P energy: -60.506
bonds (distance) P-C4' energy: -64.652
flat angles C4'-P-C4' energy: -74.506
flat angles P-C4'-P energy: -50.035
tors. eta vs tors. theta energy: -86.802
Dist. restrs. and SS energy: 1.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1080.771364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.771364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.977539 (E_RNA)
where:
Base-Base interactions energy: -743.717
where: short stacking energy: -307.511
Base-Backbone interact. energy: 1.054
local terms energy: -342.314720
where:
bonds (distance) C4'-P energy: -60.293
bonds (distance) P-C4' energy: -68.366
flat angles C4'-P-C4' energy: -69.752
flat angles P-C4'-P energy: -53.187
tors. eta vs tors. theta energy: -90.716
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: 6, replica: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1046.348704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.348704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.768976 (E_RNA)
where:
Base-Base interactions energy: -727.759
where: short stacking energy: -287.665
Base-Backbone interact. energy: -1.613
local terms energy: -321.397154
where:
bonds (distance) C4'-P energy: -64.243
bonds (distance) P-C4' energy: -62.915
flat angles C4'-P-C4' energy: -77.296
flat angles P-C4'-P energy: -40.263
tors. eta vs tors. theta energy: -76.679
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: 7, replica: 3
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -980.373031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.373031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.317604 (E_RNA)
where:
Base-Base interactions energy: -696.688
where: short stacking energy: -284.919
Base-Backbone interact. energy: -1.461
local terms energy: -287.168860
where:
bonds (distance) C4'-P energy: -53.717
bonds (distance) P-C4' energy: -66.947
flat angles C4'-P-C4' energy: -57.535
flat angles P-C4'-P energy: -36.613
tors. eta vs tors. theta energy: -72.356
Dist. restrs. and SS energy: 4.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -937.095308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.095308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.199425 (E_RNA)
where:
Base-Base interactions energy: -654.460
where: short stacking energy: -266.760
Base-Backbone interact. energy: 0.085
local terms energy: -287.824175
where:
bonds (distance) C4'-P energy: -60.019
bonds (distance) P-C4' energy: -52.304
flat angles C4'-P-C4' energy: -77.954
flat angles P-C4'-P energy: -37.355
tors. eta vs tors. theta energy: -60.194
Dist. restrs. and SS energy: 5.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -940.726670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.726670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.932670 (E_RNA)
where:
Base-Base interactions energy: -653.732
where: short stacking energy: -269.512
Base-Backbone interact. energy: 0.331
local terms energy: -293.531759
where:
bonds (distance) C4'-P energy: -56.713
bonds (distance) P-C4' energy: -62.223
flat angles C4'-P-C4' energy: -68.278
flat angles P-C4'-P energy: -36.187
tors. eta vs tors. theta energy: -70.132
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: 5
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -853.845887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.845887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.435497 (E_RNA)
where:
Base-Base interactions energy: -613.423
where: short stacking energy: -231.938
Base-Backbone interact. energy: 2.872
local terms energy: -244.884654
where:
bonds (distance) C4'-P energy: -52.986
bonds (distance) P-C4' energy: -59.046
flat angles C4'-P-C4' energy: -47.675
flat angles P-C4'-P energy: -29.439
tors. eta vs tors. theta energy: -55.739
Dist. restrs. and SS energy: 1.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1244.148759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.148759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.442983 (E_RNA)
where:
Base-Base interactions energy: -878.427
where: short stacking energy: -372.219
Base-Backbone interact. energy: -1.315
local terms energy: -369.701499
where:
bonds (distance) C4'-P energy: -60.992
bonds (distance) P-C4' energy: -73.050
flat angles C4'-P-C4' energy: -77.576
flat angles P-C4'-P energy: -47.763
tors. eta vs tors. theta energy: -110.320
Dist. restrs. and SS energy: 5.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1218.135499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.135499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.020693 (E_RNA)
where:
Base-Base interactions energy: -858.316
where: short stacking energy: -358.481
Base-Backbone interact. energy: -1.118
local terms energy: -361.587089
where:
bonds (distance) C4'-P energy: -59.615
bonds (distance) P-C4' energy: -64.502
flat angles C4'-P-C4' energy: -82.727
flat angles P-C4'-P energy: -54.478
tors. eta vs tors. theta energy: -100.265
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: 3, replica: 9
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1141.893160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.893160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.252810 (E_RNA)
where:
Base-Base interactions energy: -817.100
where: short stacking energy: -342.404
Base-Backbone interact. energy: -0.681
local terms energy: -331.471133
where:
bonds (distance) C4'-P energy: -56.142
bonds (distance) P-C4' energy: -60.829
flat angles C4'-P-C4' energy: -62.165
flat angles P-C4'-P energy: -54.044
tors. eta vs tors. theta energy: -98.290
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: 4, replica: 8
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1068.154574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.154574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.387589 (E_RNA)
where:
Base-Base interactions energy: -746.668
where: short stacking energy: -321.332
Base-Backbone interact. energy: -2.165
local terms energy: -325.554356
where:
bonds (distance) C4'-P energy: -66.857
bonds (distance) P-C4' energy: -68.665
flat angles C4'-P-C4' energy: -55.922
flat angles P-C4'-P energy: -45.605
tors. eta vs tors. theta energy: -88.505
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: 5, replica: 6
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1076.662025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.662025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.836302 (E_RNA)
where:
Base-Base interactions energy: -726.813
where: short stacking energy: -313.417
Base-Backbone interact. energy: -2.007
local terms energy: -350.015806
where:
bonds (distance) C4'-P energy: -65.386
bonds (distance) P-C4' energy: -73.326
flat angles C4'-P-C4' energy: -73.421
flat angles P-C4'-P energy: -52.753
tors. eta vs tors. theta energy: -85.130
Dist. restrs. and SS energy: 2.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1010.947254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.947254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.212295 (E_RNA)
where:
Base-Base interactions energy: -702.237
where: short stacking energy: -293.250
Base-Backbone interact. energy: -3.741
local terms energy: -308.234304
where:
bonds (distance) C4'-P energy: -68.689
bonds (distance) P-C4' energy: -55.769
flat angles C4'-P-C4' energy: -63.892
flat angles P-C4'-P energy: -42.158
tors. eta vs tors. theta energy: -77.726
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: 7, replica: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1009.079152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.079152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.795328 (E_RNA)
where:
Base-Base interactions energy: -725.735
where: short stacking energy: -301.553
Base-Backbone interact. energy: -2.088
local terms energy: -284.971674
where:
bonds (distance) C4'-P energy: -45.954
bonds (distance) P-C4' energy: -62.351
flat angles C4'-P-C4' energy: -59.501
flat angles P-C4'-P energy: -44.762
tors. eta vs tors. theta energy: -72.404
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: 8, replica: 7
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -963.595701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.595701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.345005 (E_RNA)
where:
Base-Base interactions energy: -694.311
where: short stacking energy: -278.731
Base-Backbone interact. energy: -1.726
local terms energy: -270.307807
where:
bonds (distance) C4'-P energy: -59.870
bonds (distance) P-C4' energy: -42.740
flat angles C4'-P-C4' energy: -62.344
flat angles P-C4'-P energy: -37.964
tors. eta vs tors. theta energy: -67.390
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: 9, replica: 1
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -888.516252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.516252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.795680 (E_RNA)
where:
Base-Base interactions energy: -633.937
where: short stacking energy: -260.431
Base-Backbone interact. energy: -0.038
local terms energy: -257.820571
where:
bonds (distance) C4'-P energy: -60.850
bonds (distance) P-C4' energy: -63.564
flat angles C4'-P-C4' energy: -52.617
flat angles P-C4'-P energy: -19.683
tors. eta vs tors. theta energy: -61.107
Dist. restrs. and SS energy: 3.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -843.879941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.879941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.474334 (E_RNA)
where:
Base-Base interactions energy: -602.588
where: short stacking energy: -229.074
Base-Backbone interact. energy: -0.943
local terms energy: -244.943410
where:
bonds (distance) C4'-P energy: -50.549
bonds (distance) P-C4' energy: -47.004
flat angles C4'-P-C4' energy: -56.100
flat angles P-C4'-P energy: -30.451
tors. eta vs tors. theta energy: -60.839
Dist. restrs. and SS energy: 4.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1253.926242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.926242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.660929 (E_RNA)
where:
Base-Base interactions energy: -880.975
where: short stacking energy: -375.634
Base-Backbone interact. energy: -0.416
local terms energy: -377.269531
where:
bonds (distance) C4'-P energy: -70.846
bonds (distance) P-C4' energy: -66.154
flat angles C4'-P-C4' energy: -78.993
flat angles P-C4'-P energy: -59.001
tors. eta vs tors. theta energy: -102.275
Dist. restrs. and SS energy: 4.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1204.337263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.337263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.654077 (E_RNA)
where:
Base-Base interactions energy: -843.979
where: short stacking energy: -376.006
Base-Backbone interact. energy: -1.486
local terms energy: -362.189425
where:
bonds (distance) C4'-P energy: -68.898
bonds (distance) P-C4' energy: -61.884
flat angles C4'-P-C4' energy: -79.124
flat angles P-C4'-P energy: -44.401
tors. eta vs tors. theta energy: -107.882
Dist. restrs. and SS energy: 3.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1176.993274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.993274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.716397 (E_RNA)
where:
Base-Base interactions energy: -822.574
where: short stacking energy: -324.663
Base-Backbone interact. energy: -1.269
local terms energy: -357.873634
where:
bonds (distance) C4'-P energy: -68.804
bonds (distance) P-C4' energy: -70.865
flat angles C4'-P-C4' energy: -70.732
flat angles P-C4'-P energy: -51.716
tors. eta vs tors. theta energy: -95.756
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: 4, replica: 8
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1115.780926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.780926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.575801 (E_RNA)
where:
Base-Base interactions energy: -751.993
where: short stacking energy: -332.882
Base-Backbone interact. energy: 1.328
local terms energy: -370.910327
where:
bonds (distance) C4'-P energy: -73.711
bonds (distance) P-C4' energy: -70.418
flat angles C4'-P-C4' energy: -83.367
flat angles P-C4'-P energy: -51.342
tors. eta vs tors. theta energy: -92.072
Dist. restrs. and SS energy: 5.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1052.170216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.170216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.158470 (E_RNA)
where:
Base-Base interactions energy: -737.603
where: short stacking energy: -281.776
Base-Backbone interact. energy: 4.158
local terms energy: -319.713606
where:
bonds (distance) C4'-P energy: -63.489
bonds (distance) P-C4' energy: -59.382
flat angles C4'-P-C4' energy: -74.487
flat angles P-C4'-P energy: -50.917
tors. eta vs tors. theta energy: -71.440
Dist. restrs. and SS energy: 0.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1012.718948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.718948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.967590 (E_RNA)
where:
Base-Base interactions energy: -713.937
where: short stacking energy: -276.185
Base-Backbone interact. energy: -2.243
local terms energy: -299.787673
where:
bonds (distance) C4'-P energy: -63.448
bonds (distance) P-C4' energy: -56.559
flat angles C4'-P-C4' energy: -65.913
flat angles P-C4'-P energy: -46.335
tors. eta vs tors. theta energy: -67.533
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: 7, replica: 7
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -994.648528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.648528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.865407 (E_RNA)
where:
Base-Base interactions energy: -694.406
where: short stacking energy: -276.429
Base-Backbone interact. energy: 0.817
local terms energy: -302.276520
where:
bonds (distance) C4'-P energy: -61.902
bonds (distance) P-C4' energy: -65.559
flat angles C4'-P-C4' energy: -49.100
flat angles P-C4'-P energy: -42.748
tors. eta vs tors. theta energy: -82.967
Dist. restrs. and SS energy: 1.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -952.655125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.655125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.803632 (E_RNA)
where:
Base-Base interactions energy: -682.491
where: short stacking energy: -262.164
Base-Backbone interact. energy: 0.374
local terms energy: -271.686665
where:
bonds (distance) C4'-P energy: -50.396
bonds (distance) P-C4' energy: -54.391
flat angles C4'-P-C4' energy: -64.290
flat angles P-C4'-P energy: -44.471
tors. eta vs tors. theta energy: -58.138
Dist. restrs. and SS energy: 1.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -917.586844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.586844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.937661 (E_RNA)
where:
Base-Base interactions energy: -639.782
where: short stacking energy: -256.453
Base-Backbone interact. energy: -0.145
local terms energy: -285.010247
where:
bonds (distance) C4'-P energy: -60.124
bonds (distance) P-C4' energy: -58.088
flat angles C4'-P-C4' energy: -62.438
flat angles P-C4'-P energy: -42.816
tors. eta vs tors. theta energy: -61.544
Dist. restrs. and SS energy: 7.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -852.945971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.945971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.631216 (E_RNA)
where:
Base-Base interactions energy: -608.999
where: short stacking energy: -220.745
Base-Backbone interact. energy: 1.036
local terms energy: -251.668319
where:
bonds (distance) C4'-P energy: -51.927
bonds (distance) P-C4' energy: -48.697
flat angles C4'-P-C4' energy: -57.774
flat angles P-C4'-P energy: -40.528
tors. eta vs tors. theta energy: -52.742
Dist. restrs. and SS energy: 6.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1261.481873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.481873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.097419 (E_RNA)
where:
Base-Base interactions energy: -875.732
where: short stacking energy: -365.042
Base-Backbone interact. energy: -2.360
local terms energy: -386.005343
where:
bonds (distance) C4'-P energy: -72.190
bonds (distance) P-C4' energy: -78.682
flat angles C4'-P-C4' energy: -84.413
flat angles P-C4'-P energy: -50.208
tors. eta vs tors. theta energy: -100.513
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: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1227.066873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.066873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.158736 (E_RNA)
where:
Base-Base interactions energy: -843.655
where: short stacking energy: -339.473
Base-Backbone interact. energy: 0.059
local terms energy: -387.562497
where:
bonds (distance) C4'-P energy: -75.497
bonds (distance) P-C4' energy: -73.422
flat angles C4'-P-C4' energy: -76.536
flat angles P-C4'-P energy: -61.267
tors. eta vs tors. theta energy: -100.840
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: 3, replica: 9
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1160.064075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.064075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.800233 (E_RNA)
where:
Base-Base interactions energy: -811.688
where: short stacking energy: -319.065
Base-Backbone interact. energy: -1.073
local terms energy: -352.039612
where:
bonds (distance) C4'-P energy: -66.779
bonds (distance) P-C4' energy: -71.984
flat angles C4'-P-C4' energy: -70.884
flat angles P-C4'-P energy: -57.057
tors. eta vs tors. theta energy: -85.336
Dist. restrs. and SS energy: 4.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1108.972612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.972612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.181731 (E_RNA)
where:
Base-Base interactions energy: -764.671
where: short stacking energy: -313.143
Base-Backbone interact. energy: -2.534
local terms energy: -346.977400
where:
bonds (distance) C4'-P energy: -66.287
bonds (distance) P-C4' energy: -71.111
flat angles C4'-P-C4' energy: -67.693
flat angles P-C4'-P energy: -53.927
tors. eta vs tors. theta energy: -87.959
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: 6
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1059.445596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.445596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.263680 (E_RNA)
where:
Base-Base interactions energy: -749.493
where: short stacking energy: -308.196
Base-Backbone interact. energy: -1.111
local terms energy: -311.659598
where:
bonds (distance) C4'-P energy: -52.983
bonds (distance) P-C4' energy: -69.139
flat angles C4'-P-C4' energy: -61.554
flat angles P-C4'-P energy: -45.829
tors. eta vs tors. theta energy: -82.155
Dist. restrs. and SS energy: 2.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1012.274914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.274914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.854868 (E_RNA)
where:
Base-Base interactions energy: -720.733
where: short stacking energy: -260.093
Base-Backbone interact. energy: -0.701
local terms energy: -294.421202
where:
bonds (distance) C4'-P energy: -56.915
bonds (distance) P-C4' energy: -60.289
flat angles C4'-P-C4' energy: -71.289
flat angles P-C4'-P energy: -39.001
tors. eta vs tors. theta energy: -66.926
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: 7, replica: 3
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -992.614654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.614654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.390001 (E_RNA)
where:
Base-Base interactions energy: -686.262
where: short stacking energy: -274.595
Base-Backbone interact. energy: -1.110
local terms energy: -313.017387
where:
bonds (distance) C4'-P energy: -60.013
bonds (distance) P-C4' energy: -74.506
flat angles C4'-P-C4' energy: -61.046
flat angles P-C4'-P energy: -50.467
tors. eta vs tors. theta energy: -66.985
Dist. restrs. and SS energy: 7.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -969.130264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.130264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.996061 (E_RNA)
where:
Base-Base interactions energy: -681.148
where: short stacking energy: -279.508
Base-Backbone interact. energy: -0.566
local terms energy: -294.282442
where:
bonds (distance) C4'-P energy: -51.865
bonds (distance) P-C4' energy: -60.790
flat angles C4'-P-C4' energy: -57.031
flat angles P-C4'-P energy: -45.118
tors. eta vs tors. theta energy: -79.480
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: 9, replica: 10
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -941.674507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.674507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.583867 (E_RNA)
where:
Base-Base interactions energy: -669.735
where: short stacking energy: -288.223
Base-Backbone interact. energy: -1.140
local terms energy: -272.708623
where:
bonds (distance) C4'-P energy: -49.645
bonds (distance) P-C4' energy: -60.604
flat angles C4'-P-C4' energy: -61.425
flat angles P-C4'-P energy: -31.434
tors. eta vs tors. theta energy: -69.601
Dist. restrs. and SS energy: 1.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -847.227728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.227728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.694198 (E_RNA)
where:
Base-Base interactions energy: -611.765
where: short stacking energy: -238.503
Base-Backbone interact. energy: -1.503
local terms energy: -241.426151
where:
bonds (distance) C4'-P energy: -56.166
bonds (distance) P-C4' energy: -48.770
flat angles C4'-P-C4' energy: -43.739
flat angles P-C4'-P energy: -37.329
tors. eta vs tors. theta energy: -55.422
Dist. restrs. and SS energy: 7.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1249.048391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.048391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.648268 (E_RNA)
where:
Base-Base interactions energy: -854.825
where: short stacking energy: -359.960
Base-Backbone interact. energy: -2.385
local terms energy: -396.438429
where:
bonds (distance) C4'-P energy: -74.638
bonds (distance) P-C4' energy: -68.541
flat angles C4'-P-C4' energy: -83.617
flat angles P-C4'-P energy: -62.527
tors. eta vs tors. theta energy: -107.115
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: 2, replica: 4
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1233.952904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.952904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.237689 (E_RNA)
where:
Base-Base interactions energy: -862.601
where: short stacking energy: -355.891
Base-Backbone interact. energy: -3.071
local terms energy: -372.565869
where:
bonds (distance) C4'-P energy: -60.807
bonds (distance) P-C4' energy: -71.529
flat angles C4'-P-C4' energy: -79.632
flat angles P-C4'-P energy: -54.058
tors. eta vs tors. theta energy: -106.541
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: 3, replica: 9
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1164.030087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.030087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.064348 (E_RNA)
where:
Base-Base interactions energy: -832.219
where: short stacking energy: -325.356
Base-Backbone interact. energy: -1.055
local terms energy: -340.790858
where:
bonds (distance) C4'-P energy: -65.297
bonds (distance) P-C4' energy: -58.455
flat angles C4'-P-C4' energy: -73.252
flat angles P-C4'-P energy: -50.932
tors. eta vs tors. theta energy: -92.855
Dist. restrs. and SS energy: 10.034 (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: 8
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1064.679159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.679159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.186606 (E_RNA)
where:
Base-Base interactions energy: -728.639
where: short stacking energy: -309.037
Base-Backbone interact. energy: 0.041
local terms energy: -344.588387
where:
bonds (distance) C4'-P energy: -69.959
bonds (distance) P-C4' energy: -67.256
flat angles C4'-P-C4' energy: -72.285
flat angles P-C4'-P energy: -48.836
tors. eta vs tors. theta energy: -86.252
Dist. restrs. and SS energy: 8.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1066.760557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.760557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.821133 (E_RNA)
where:
Base-Base interactions energy: -768.416
where: short stacking energy: -306.590
Base-Backbone interact. energy: -1.712
local terms energy: -300.693031
where:
bonds (distance) C4'-P energy: -60.152
bonds (distance) P-C4' energy: -58.488
flat angles C4'-P-C4' energy: -69.271
flat angles P-C4'-P energy: -38.594
tors. eta vs tors. theta energy: -74.188
Dist. restrs. and SS energy: 4.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1007.363923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.363923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.816452 (E_RNA)
where:
Base-Base interactions energy: -725.033
where: short stacking energy: -276.011
Base-Backbone interact. energy: 3.808
local terms energy: -288.592122
where:
bonds (distance) C4'-P energy: -57.268
bonds (distance) P-C4' energy: -58.201
flat angles C4'-P-C4' energy: -64.991
flat angles P-C4'-P energy: -42.306
tors. eta vs tors. theta energy: -65.826
Dist. restrs. and SS energy: 2.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -993.724812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.724812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.552727 (E_RNA)
where:
Base-Base interactions energy: -686.657
where: short stacking energy: -276.325
Base-Backbone interact. energy: -1.499
local terms energy: -312.396660
where:
bonds (distance) C4'-P energy: -67.139
bonds (distance) P-C4' energy: -64.945
flat angles C4'-P-C4' energy: -62.726
flat angles P-C4'-P energy: -43.100
tors. eta vs tors. theta energy: -74.488
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: 8, replica: 3
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -965.292977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.292977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.772104 (E_RNA)
where:
Base-Base interactions energy: -672.617
where: short stacking energy: -277.315
Base-Backbone interact. energy: 0.838
local terms energy: -300.993602
where:
bonds (distance) C4'-P energy: -54.257
bonds (distance) P-C4' energy: -60.631
flat angles C4'-P-C4' energy: -68.910
flat angles P-C4'-P energy: -43.498
tors. eta vs tors. theta energy: -73.698
Dist. restrs. and SS energy: 7.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -914.028010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.028010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.217296 (E_RNA)
where:
Base-Base interactions energy: -628.490
where: short stacking energy: -234.013
Base-Backbone interact. energy: -0.557
local terms energy: -286.170233
where:
bonds (distance) C4'-P energy: -64.694
bonds (distance) P-C4' energy: -51.858
flat angles C4'-P-C4' energy: -67.074
flat angles P-C4'-P energy: -40.754
tors. eta vs tors. theta energy: -61.790
Dist. restrs. and SS energy: 1.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -901.757915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.757915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.610988 (E_RNA)
where:
Base-Base interactions energy: -620.215
where: short stacking energy: -255.393
Base-Backbone interact. energy: -0.437
local terms energy: -283.958557
where:
bonds (distance) C4'-P energy: -51.555
bonds (distance) P-C4' energy: -54.436
flat angles C4'-P-C4' energy: -67.843
flat angles P-C4'-P energy: -40.499
tors. eta vs tors. theta energy: -69.625
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: 1, replica: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1242.651513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.651513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.531048 (E_RNA)
where:
Base-Base interactions energy: -870.749
where: short stacking energy: -368.103
Base-Backbone interact. energy: -2.952
local terms energy: -373.829897
where:
bonds (distance) C4'-P energy: -70.382
bonds (distance) P-C4' energy: -63.324
flat angles C4'-P-C4' energy: -75.828
flat angles P-C4'-P energy: -52.497
tors. eta vs tors. theta energy: -111.799
Dist. restrs. and SS energy: 4.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1238.484052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.484052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.718361 (E_RNA)
where:
Base-Base interactions energy: -852.925
where: short stacking energy: -352.608
Base-Backbone interact. energy: -4.314
local terms energy: -386.479140
where:
bonds (distance) C4'-P energy: -66.156
bonds (distance) P-C4' energy: -74.699
flat angles C4'-P-C4' energy: -87.341
flat angles P-C4'-P energy: -57.806
tors. eta vs tors. theta energy: -100.476
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: 3, replica: 9
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1155.449720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.449720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.718834 (E_RNA)
where:
Base-Base interactions energy: -822.928
where: short stacking energy: -327.107
Base-Backbone interact. energy: 0.044
local terms energy: -337.835564
where:
bonds (distance) C4'-P energy: -56.627
bonds (distance) P-C4' energy: -68.047
flat angles C4'-P-C4' energy: -73.948
flat angles P-C4'-P energy: -49.659
tors. eta vs tors. theta energy: -89.555
Dist. restrs. and SS energy: 5.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1092.549606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.549606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.003195 (E_RNA)
where:
Base-Base interactions energy: -752.068
where: short stacking energy: -306.431
Base-Backbone interact. energy: -0.062
local terms energy: -344.873576
where:
bonds (distance) C4'-P energy: -69.387
bonds (distance) P-C4' energy: -72.586
flat angles C4'-P-C4' energy: -66.154
flat angles P-C4'-P energy: -43.211
tors. eta vs tors. theta energy: -93.535
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: 5, replica: 8
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1072.596492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.596492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.076178 (E_RNA)
where:
Base-Base interactions energy: -763.647
where: short stacking energy: -303.900
Base-Backbone interact. energy: -0.095
local terms energy: -317.334047
where:
bonds (distance) C4'-P energy: -64.025
bonds (distance) P-C4' energy: -60.094
flat angles C4'-P-C4' energy: -74.170
flat angles P-C4'-P energy: -39.786
tors. eta vs tors. theta energy: -79.259
Dist. restrs. and SS energy: 8.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1034.908153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.908153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.746710 (E_RNA)
where:
Base-Base interactions energy: -710.977
where: short stacking energy: -296.768
Base-Backbone interact. energy: -0.558
local terms energy: -330.211634
where:
bonds (distance) C4'-P energy: -58.146
bonds (distance) P-C4' energy: -68.935
flat angles C4'-P-C4' energy: -77.458
flat angles P-C4'-P energy: -43.853
tors. eta vs tors. theta energy: -81.820
Dist. restrs. and SS energy: 6.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -970.560800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.560800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.658611 (E_RNA)
where:
Base-Base interactions energy: -669.101
where: short stacking energy: -270.068
Base-Backbone interact. energy: 4.148
local terms energy: -312.705249
where:
bonds (distance) C4'-P energy: -62.542
bonds (distance) P-C4' energy: -64.897
flat angles C4'-P-C4' energy: -67.746
flat angles P-C4'-P energy: -48.054
tors. eta vs tors. theta energy: -69.466
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: 8, replica: 5
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -932.201635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.201635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.240383 (E_RNA)
where:
Base-Base interactions energy: -641.541
where: short stacking energy: -239.665
Base-Backbone interact. energy: 0.401
local terms energy: -292.099957
where:
bonds (distance) C4'-P energy: -56.051
bonds (distance) P-C4' energy: -72.554
flat angles C4'-P-C4' energy: -63.856
flat angles P-C4'-P energy: -42.727
tors. eta vs tors. theta energy: -56.911
Dist. restrs. and SS energy: 1.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -904.208215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.208215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.910562 (E_RNA)
where:
Base-Base interactions energy: -623.853
where: short stacking energy: -238.160
Base-Backbone interact. energy: -1.417
local terms energy: -282.640651
where:
bonds (distance) C4'-P energy: -56.197
bonds (distance) P-C4' energy: -62.884
flat angles C4'-P-C4' energy: -56.497
flat angles P-C4'-P energy: -38.035
tors. eta vs tors. theta energy: -69.028
Dist. restrs. and SS energy: 3.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -892.644843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.644843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.677878 (E_RNA)
where:
Base-Base interactions energy: -634.218
where: short stacking energy: -258.507
Base-Backbone interact. energy: 0.023
local terms energy: -264.483171
where:
bonds (distance) C4'-P energy: -39.358
bonds (distance) P-C4' energy: -46.282
flat angles C4'-P-C4' energy: -61.491
flat angles P-C4'-P energy: -46.013
tors. eta vs tors. theta energy: -71.340
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: 1, replica: 2
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1259.251717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.251717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.151526 (E_RNA)
where:
Base-Base interactions energy: -872.047
where: short stacking energy: -375.492
Base-Backbone interact. energy: -3.768
local terms energy: -386.336906
where:
bonds (distance) C4'-P energy: -69.270
bonds (distance) P-C4' energy: -71.324
flat angles C4'-P-C4' energy: -84.980
flat angles P-C4'-P energy: -57.682
tors. eta vs tors. theta energy: -103.080
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: 2, replica: 4
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1238.191720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.191720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.230721 (E_RNA)
where:
Base-Base interactions energy: -870.092
where: short stacking energy: -359.460
Base-Backbone interact. energy: -0.388
local terms energy: -371.750753
where:
bonds (distance) C4'-P energy: -72.219
bonds (distance) P-C4' energy: -58.875
flat angles C4'-P-C4' energy: -72.346
flat angles P-C4'-P energy: -54.346
tors. eta vs tors. theta energy: -113.965
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: 3, replica: 6
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1147.826447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.826447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.357214 (E_RNA)
where:
Base-Base interactions energy: -817.961
where: short stacking energy: -333.005
Base-Backbone interact. energy: -1.603
local terms energy: -330.793095
where:
bonds (distance) C4'-P energy: -51.113
bonds (distance) P-C4' energy: -59.406
flat angles C4'-P-C4' energy: -76.528
flat angles P-C4'-P energy: -55.275
tors. eta vs tors. theta energy: -88.471
Dist. restrs. and SS energy: 2.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1124.901275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.901275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.965011 (E_RNA)
where:
Base-Base interactions energy: -785.769
where: short stacking energy: -321.603
Base-Backbone interact. energy: 0.576
local terms energy: -347.772053
where:
bonds (distance) C4'-P energy: -54.156
bonds (distance) P-C4' energy: -62.596
flat angles C4'-P-C4' energy: -82.099
flat angles P-C4'-P energy: -50.164
tors. eta vs tors. theta energy: -98.758
Dist. restrs. and SS energy: 8.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1063.797954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.797954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.547003 (E_RNA)
where:
Base-Base interactions energy: -738.802
where: short stacking energy: -299.907
Base-Backbone interact. energy: -0.471
local terms energy: -332.273746
where:
bonds (distance) C4'-P energy: -61.244
bonds (distance) P-C4' energy: -64.436
flat angles C4'-P-C4' energy: -77.220
flat angles P-C4'-P energy: -42.503
tors. eta vs tors. theta energy: -86.871
Dist. restrs. and SS energy: 7.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1004.638274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.638274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.812671 (E_RNA)
where:
Base-Base interactions energy: -694.071
where: short stacking energy: -267.680
Base-Backbone interact. energy: -2.134
local terms energy: -310.606990
where:
bonds (distance) C4'-P energy: -62.478
bonds (distance) P-C4' energy: -59.278
flat angles C4'-P-C4' energy: -70.720
flat angles P-C4'-P energy: -38.231
tors. eta vs tors. theta energy: -79.900
Dist. restrs. and SS energy: 2.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -958.527894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.527894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.166925 (E_RNA)
where:
Base-Base interactions energy: -684.509
where: short stacking energy: -270.294
Base-Backbone interact. energy: 1.149
local terms energy: -280.807122
where:
bonds (distance) C4'-P energy: -61.213
bonds (distance) P-C4' energy: -62.690
flat angles C4'-P-C4' energy: -60.314
flat angles P-C4'-P energy: -28.932
tors. eta vs tors. theta energy: -67.659
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: 5
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -949.523141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.523141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.444594 (E_RNA)
where:
Base-Base interactions energy: -659.105
where: short stacking energy: -259.776
Base-Backbone interact. energy: -2.939
local terms energy: -288.401349
where:
bonds (distance) C4'-P energy: -64.105
bonds (distance) P-C4' energy: -54.408
flat angles C4'-P-C4' energy: -66.033
flat angles P-C4'-P energy: -40.129
tors. eta vs tors. theta energy: -63.725
Dist. restrs. and SS energy: 0.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -937.187181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.187181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.786116 (E_RNA)
where:
Base-Base interactions energy: -669.518
where: short stacking energy: -276.461
Base-Backbone interact. energy: -0.169
local terms energy: -268.099633
where:
bonds (distance) C4'-P energy: -51.979
bonds (distance) P-C4' energy: -52.259
flat angles C4'-P-C4' energy: -47.749
flat angles P-C4'-P energy: -34.450
tors. eta vs tors. theta energy: -81.662
Dist. restrs. and SS energy: 0.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -915.158617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.158617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.748111 (E_RNA)
where:
Base-Base interactions energy: -633.006
where: short stacking energy: -250.252
Base-Backbone interact. energy: -2.310
local terms energy: -284.431994
where:
bonds (distance) C4'-P energy: -50.902
bonds (distance) P-C4' energy: -65.952
flat angles C4'-P-C4' energy: -55.206
flat angles P-C4'-P energy: -48.152
tors. eta vs tors. theta energy: -64.221
Dist. restrs. and SS energy: 4.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1249.022354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.022354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.291467 (E_RNA)
where:
Base-Base interactions energy: -863.240
where: short stacking energy: -360.521
Base-Backbone interact. energy: -3.246
local terms energy: -385.805592
where:
bonds (distance) C4'-P energy: -69.992
bonds (distance) P-C4' energy: -74.136
flat angles C4'-P-C4' energy: -79.292
flat angles P-C4'-P energy: -55.777
tors. eta vs tors. theta energy: -106.608
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: 4
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1235.863252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.863252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.627040 (E_RNA)
where:
Base-Base interactions energy: -876.352
where: short stacking energy: -354.694
Base-Backbone interact. energy: -2.311
local terms energy: -359.963447
where:
bonds (distance) C4'-P energy: -64.661
bonds (distance) P-C4' energy: -65.349
flat angles C4'-P-C4' energy: -78.681
flat angles P-C4'-P energy: -52.332
tors. eta vs tors. theta energy: -98.941
Dist. restrs. and SS energy: 2.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1160.458378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.458378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.854754 (E_RNA)
where:
Base-Base interactions energy: -802.911
where: short stacking energy: -338.990
Base-Backbone interact. energy: -1.525
local terms energy: -359.419056
where:
bonds (distance) C4'-P energy: -65.328
bonds (distance) P-C4' energy: -57.775
flat angles C4'-P-C4' energy: -86.962
flat angles P-C4'-P energy: -54.630
tors. eta vs tors. theta energy: -94.725
Dist. restrs. and SS energy: 3.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1108.156224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.156224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.082561 (E_RNA)
where:
Base-Base interactions energy: -782.941
where: short stacking energy: -291.352
Base-Backbone interact. energy: -2.337
local terms energy: -328.804265
where:
bonds (distance) C4'-P energy: -54.266
bonds (distance) P-C4' energy: -71.399
flat angles C4'-P-C4' energy: -71.383
flat angles P-C4'-P energy: -50.291
tors. eta vs tors. theta energy: -81.466
Dist. restrs. and SS energy: 5.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1084.647362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.647362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.123278 (E_RNA)
where:
Base-Base interactions energy: -756.648
where: short stacking energy: -309.467
Base-Backbone interact. energy: 6.627
local terms energy: -341.103071
where:
bonds (distance) C4'-P energy: -68.006
bonds (distance) P-C4' energy: -63.133
flat angles C4'-P-C4' energy: -76.367
flat angles P-C4'-P energy: -54.297
tors. eta vs tors. theta energy: -79.300
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: 6, replica: 7
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1013.391281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.391281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.049885 (E_RNA)
where:
Base-Base interactions energy: -715.804
where: short stacking energy: -288.821
Base-Backbone interact. energy: -2.585
local terms energy: -297.660626
where:
bonds (distance) C4'-P energy: -65.016
bonds (distance) P-C4' energy: -55.895
flat angles C4'-P-C4' energy: -59.319
flat angles P-C4'-P energy: -39.170
tors. eta vs tors. theta energy: -78.261
Dist. restrs. and SS energy: 2.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -979.902087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.902087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.419008 (E_RNA)
where:
Base-Base interactions energy: -678.060
where: short stacking energy: -264.268
Base-Backbone interact. energy: -0.547
local terms energy: -308.812014
where:
bonds (distance) C4'-P energy: -53.576
bonds (distance) P-C4' energy: -62.696
flat angles C4'-P-C4' energy: -65.704
flat angles P-C4'-P energy: -47.863
tors. eta vs tors. theta energy: -78.973
Dist. restrs. and SS energy: 7.517 (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: 5
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -913.830949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.830949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.679214 (E_RNA)
where:
Base-Base interactions energy: -649.167
where: short stacking energy: -247.737
Base-Backbone interact. energy: -0.535
local terms energy: -267.977400
where:
bonds (distance) C4'-P energy: -48.505
bonds (distance) P-C4' energy: -51.475
flat angles C4'-P-C4' energy: -64.017
flat angles P-C4'-P energy: -46.496
tors. eta vs tors. theta energy: -57.485
Dist. restrs. and SS energy: 3.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -916.918414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.918414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.349345 (E_RNA)
where:
Base-Base interactions energy: -638.340
where: short stacking energy: -255.609
Base-Backbone interact. energy: 1.156
local terms energy: -291.165068
where:
bonds (distance) C4'-P energy: -57.025
bonds (distance) P-C4' energy: -59.400
flat angles C4'-P-C4' energy: -64.560
flat angles P-C4'-P energy: -44.350
tors. eta vs tors. theta energy: -65.831
Dist. restrs. and SS energy: 11.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -896.779505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.779505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.673131 (E_RNA)
where:
Base-Base interactions energy: -597.866
where: short stacking energy: -233.696
Base-Backbone interact. energy: -0.572
local terms energy: -307.235229
where:
bonds (distance) C4'-P energy: -58.382
bonds (distance) P-C4' energy: -63.079
flat angles C4'-P-C4' energy: -74.519
flat angles P-C4'-P energy: -43.107
tors. eta vs tors. theta energy: -68.149
Dist. restrs. and SS energy: 8.894 (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: 2
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1239.396253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.396253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.269099 (E_RNA)
where:
Base-Base interactions energy: -859.292
where: short stacking energy: -362.151
Base-Backbone interact. energy: -1.564
local terms energy: -382.413596
where:
bonds (distance) C4'-P energy: -69.099
bonds (distance) P-C4' energy: -69.133
flat angles C4'-P-C4' energy: -78.252
flat angles P-C4'-P energy: -62.654
tors. eta vs tors. theta energy: -103.275
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: 4
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1240.945142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.945142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.908645 (E_RNA)
where:
Base-Base interactions energy: -884.759
where: short stacking energy: -353.491
Base-Backbone interact. energy: -0.922
local terms energy: -357.227723
where:
bonds (distance) C4'-P energy: -68.711
bonds (distance) P-C4' energy: -69.735
flat angles C4'-P-C4' energy: -75.756
flat angles P-C4'-P energy: -42.347
tors. eta vs tors. theta energy: -100.678
Dist. restrs. and SS energy: 1.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1158.688400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.688400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.660892 (E_RNA)
where:
Base-Base interactions energy: -808.941
where: short stacking energy: -324.742
Base-Backbone interact. energy: -0.154
local terms energy: -353.566087
where:
bonds (distance) C4'-P energy: -61.525
bonds (distance) P-C4' energy: -76.448
flat angles C4'-P-C4' energy: -72.945
flat angles P-C4'-P energy: -60.933
tors. eta vs tors. theta energy: -81.715
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: 9
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1120.141461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.141461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.134650 (E_RNA)
where:
Base-Base interactions energy: -801.213
where: short stacking energy: -322.097
Base-Backbone interact. energy: 2.227
local terms energy: -327.149067
where:
bonds (distance) C4'-P energy: -56.678
bonds (distance) P-C4' energy: -71.156
flat angles C4'-P-C4' energy: -73.526
flat angles P-C4'-P energy: -36.498
tors. eta vs tors. theta energy: -89.292
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: 5, replica: 7
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1053.750210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.750210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.579698 (E_RNA)
where:
Base-Base interactions energy: -728.235
where: short stacking energy: -299.157
Base-Backbone interact. energy: -3.508
local terms energy: -322.835886
where:
bonds (distance) C4'-P energy: -59.347
bonds (distance) P-C4' energy: -65.315
flat angles C4'-P-C4' energy: -75.275
flat angles P-C4'-P energy: -38.183
tors. eta vs tors. theta energy: -84.717
Dist. restrs. and SS energy: 0.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1022.070320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.070320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.266506 (E_RNA)
where:
Base-Base interactions energy: -713.131
where: short stacking energy: -281.524
Base-Backbone interact. energy: -2.195
local terms energy: -309.941141
where:
bonds (distance) C4'-P energy: -52.967
bonds (distance) P-C4' energy: -53.952
flat angles C4'-P-C4' energy: -60.521
flat angles P-C4'-P energy: -62.809
tors. eta vs tors. theta energy: -79.692
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: 7, replica: 1
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -939.304197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.304197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.847633 (E_RNA)
where:
Base-Base interactions energy: -655.187
where: short stacking energy: -261.850
Base-Backbone interact. energy: -3.224
local terms energy: -289.436570
where:
bonds (distance) C4'-P energy: -59.053
bonds (distance) P-C4' energy: -54.224
flat angles C4'-P-C4' energy: -70.808
flat angles P-C4'-P energy: -38.930
tors. eta vs tors. theta energy: -66.421
Dist. restrs. and SS energy: 8.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -939.194318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.194318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.491674 (E_RNA)
where:
Base-Base interactions energy: -642.932
where: short stacking energy: -256.933
Base-Backbone interact. energy: -3.354
local terms energy: -297.205606
where:
bonds (distance) C4'-P energy: -58.120
bonds (distance) P-C4' energy: -65.514
flat angles C4'-P-C4' energy: -60.739
flat angles P-C4'-P energy: -50.018
tors. eta vs tors. theta energy: -62.815
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: 3
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -919.493618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.493618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.176282 (E_RNA)
where:
Base-Base interactions energy: -630.310
where: short stacking energy: -252.372
Base-Backbone interact. energy: -1.012
local terms energy: -294.854433
where:
bonds (distance) C4'-P energy: -67.259
bonds (distance) P-C4' energy: -60.741
flat angles C4'-P-C4' energy: -62.545
flat angles P-C4'-P energy: -42.189
tors. eta vs tors. theta energy: -62.121
Dist. restrs. and SS energy: 6.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -886.896397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.896397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.230034 (E_RNA)
where:
Base-Base interactions energy: -610.360
where: short stacking energy: -241.145
Base-Backbone interact. energy: -1.013
local terms energy: -280.856594
where:
bonds (distance) C4'-P energy: -65.148
bonds (distance) P-C4' energy: -57.865
flat angles C4'-P-C4' energy: -58.869
flat angles P-C4'-P energy: -34.293
tors. eta vs tors. theta energy: -64.682
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: 1, replica: 2
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1221.679063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.679063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.989170 (E_RNA)
where:
Base-Base interactions energy: -847.765
where: short stacking energy: -365.437
Base-Backbone interact. energy: 0.472
local terms energy: -377.696203
where:
bonds (distance) C4'-P energy: -66.318
bonds (distance) P-C4' energy: -71.354
flat angles C4'-P-C4' energy: -78.031
flat angles P-C4'-P energy: -55.315
tors. eta vs tors. theta energy: -106.678
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: 4
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1238.458816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.458816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.437594 (E_RNA)
where:
Base-Base interactions energy: -870.155
where: short stacking energy: -344.011
Base-Backbone interact. energy: -2.973
local terms energy: -369.310105
where:
bonds (distance) C4'-P energy: -63.215
bonds (distance) P-C4' energy: -66.781
flat angles C4'-P-C4' energy: -85.964
flat angles P-C4'-P energy: -48.308
tors. eta vs tors. theta energy: -105.041
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: 3, replica: 6
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1152.084153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.084153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.394991 (E_RNA)
where:
Base-Base interactions energy: -805.568
where: short stacking energy: -342.483
Base-Backbone interact. energy: -0.978
local terms energy: -351.848587
where:
bonds (distance) C4'-P energy: -66.900
bonds (distance) P-C4' energy: -62.212
flat angles C4'-P-C4' energy: -78.631
flat angles P-C4'-P energy: -43.742
tors. eta vs tors. theta energy: -100.364
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: 4, replica: 9
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1105.932740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.932740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.733128 (E_RNA)
where:
Base-Base interactions energy: -779.020
where: short stacking energy: -305.075
Base-Backbone interact. energy: 0.505
local terms energy: -332.218856
where:
bonds (distance) C4'-P energy: -71.725
bonds (distance) P-C4' energy: -64.717
flat angles C4'-P-C4' energy: -71.592
flat angles P-C4'-P energy: -42.166
tors. eta vs tors. theta energy: -82.020
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: 7
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1066.267389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.267389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.531870 (E_RNA)
where:
Base-Base interactions energy: -757.940
where: short stacking energy: -311.210
Base-Backbone interact. energy: -0.067
local terms energy: -311.525280
where:
bonds (distance) C4'-P energy: -52.318
bonds (distance) P-C4' energy: -60.093
flat angles C4'-P-C4' energy: -69.545
flat angles P-C4'-P energy: -47.311
tors. eta vs tors. theta energy: -82.259
Dist. restrs. and SS energy: 3.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1059.754200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.754200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.430120 (E_RNA)
where:
Base-Base interactions energy: -741.185
where: short stacking energy: -290.990
Base-Backbone interact. energy: -5.084
local terms energy: -317.160943
where:
bonds (distance) C4'-P energy: -59.892
bonds (distance) P-C4' energy: -59.997
flat angles C4'-P-C4' energy: -63.474
flat angles P-C4'-P energy: -42.889
tors. eta vs tors. theta energy: -90.910
Dist. restrs. and SS energy: 3.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -957.668505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.668505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.528871 (E_RNA)
where:
Base-Base interactions energy: -651.617
where: short stacking energy: -266.171
Base-Backbone interact. energy: -0.426
local terms energy: -314.486186
where:
bonds (distance) C4'-P energy: -61.864
bonds (distance) P-C4' energy: -73.037
flat angles C4'-P-C4' energy: -69.022
flat angles P-C4'-P energy: -43.547
tors. eta vs tors. theta energy: -67.016
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: 8, replica: 3
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -968.141998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.141998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.470543 (E_RNA)
where:
Base-Base interactions energy: -687.170
where: short stacking energy: -274.022
Base-Backbone interact. energy: 0.030
local terms energy: -286.330880
where:
bonds (distance) C4'-P energy: -57.645
bonds (distance) P-C4' energy: -57.177
flat angles C4'-P-C4' energy: -63.236
flat angles P-C4'-P energy: -43.107
tors. eta vs tors. theta energy: -65.166
Dist. restrs. and SS energy: 5.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -899.504037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.504037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.605616 (E_RNA)
where:
Base-Base interactions energy: -644.611
where: short stacking energy: -240.324
Base-Backbone interact. energy: 0.581
local terms energy: -256.576338
where:
bonds (distance) C4'-P energy: -44.627
bonds (distance) P-C4' energy: -62.132
flat angles C4'-P-C4' energy: -57.387
flat angles P-C4'-P energy: -36.387
tors. eta vs tors. theta energy: -56.043
Dist. restrs. and SS energy: 1.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -900.292821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.292821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.562916 (E_RNA)
where:
Base-Base interactions energy: -653.639
where: short stacking energy: -254.395
Base-Backbone interact. energy: -1.428
local terms energy: -253.495212
where:
bonds (distance) C4'-P energy: -38.078
bonds (distance) P-C4' energy: -44.237
flat angles C4'-P-C4' energy: -58.846
flat angles P-C4'-P energy: -50.287
tors. eta vs tors. theta energy: -62.048
Dist. restrs. and SS energy: 8.270 (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: 4
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1263.836888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.836888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.481478 (E_RNA)
where:
Base-Base interactions energy: -883.444
where: short stacking energy: -354.047
Base-Backbone interact. energy: -2.876
local terms energy: -380.161220
where:
bonds (distance) C4'-P energy: -64.124
bonds (distance) P-C4' energy: -69.129
flat angles C4'-P-C4' energy: -82.026
flat angles P-C4'-P energy: -61.690
tors. eta vs tors. theta energy: -103.192
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: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1222.248794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.248794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.599851 (E_RNA)
where:
Base-Base interactions energy: -849.570
where: short stacking energy: -349.891
Base-Backbone interact. energy: 3.148
local terms energy: -379.178301
where:
bonds (distance) C4'-P energy: -76.424
bonds (distance) P-C4' energy: -72.904
flat angles C4'-P-C4' energy: -75.080
flat angles P-C4'-P energy: -50.733
tors. eta vs tors. theta energy: -104.038
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: 6
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1180.241319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.241319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.588835 (E_RNA)
where:
Base-Base interactions energy: -822.200
where: short stacking energy: -350.452
Base-Backbone interact. energy: -1.930
local terms energy: -359.458509
where:
bonds (distance) C4'-P energy: -66.314
bonds (distance) P-C4' energy: -69.198
flat angles C4'-P-C4' energy: -75.779
flat angles P-C4'-P energy: -49.868
tors. eta vs tors. theta energy: -98.300
Dist. restrs. and SS energy: 3.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1115.616012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.616012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.186427 (E_RNA)
where:
Base-Base interactions energy: -781.654
where: short stacking energy: -322.684
Base-Backbone interact. energy: 0.884
local terms energy: -340.416684
where:
bonds (distance) C4'-P energy: -67.426
bonds (distance) P-C4' energy: -60.579
flat angles C4'-P-C4' energy: -78.336
flat angles P-C4'-P energy: -49.585
tors. eta vs tors. theta energy: -84.492
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: 5, replica: 8
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1094.609257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.609257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.165945 (E_RNA)
where:
Base-Base interactions energy: -770.849
where: short stacking energy: -315.759
Base-Backbone interact. energy: 0.306
local terms energy: -327.623722
where:
bonds (distance) C4'-P energy: -64.274
bonds (distance) P-C4' energy: -59.386
flat angles C4'-P-C4' energy: -72.201
flat angles P-C4'-P energy: -43.938
tors. eta vs tors. theta energy: -87.825
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: 6, replica: 7
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1041.767063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.767063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.572276 (E_RNA)
where:
Base-Base interactions energy: -717.967
where: short stacking energy: -304.394
Base-Backbone interact. energy: -1.300
local terms energy: -326.305613
where:
bonds (distance) C4'-P energy: -65.459
bonds (distance) P-C4' energy: -52.222
flat angles C4'-P-C4' energy: -70.462
flat angles P-C4'-P energy: -49.949
tors. eta vs tors. theta energy: -88.214
Dist. restrs. and SS energy: 3.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -969.695806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.695806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.625689 (E_RNA)
where:
Base-Base interactions energy: -693.762
where: short stacking energy: -269.174
Base-Backbone interact. energy: -0.600
local terms energy: -278.263938
where:
bonds (distance) C4'-P energy: -58.188
bonds (distance) P-C4' energy: -64.196
flat angles C4'-P-C4' energy: -61.247
flat angles P-C4'-P energy: -28.147
tors. eta vs tors. theta energy: -66.485
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: 8, replica: 1
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -935.347586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.347586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.142219 (E_RNA)
where:
Base-Base interactions energy: -669.920
where: short stacking energy: -268.481
Base-Backbone interact. energy: 0.245
local terms energy: -276.466441
where:
bonds (distance) C4'-P energy: -57.671
bonds (distance) P-C4' energy: -49.673
flat angles C4'-P-C4' energy: -65.401
flat angles P-C4'-P energy: -44.064
tors. eta vs tors. theta energy: -59.658
Dist. restrs. and SS energy: 10.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -910.846267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.846267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.924054 (E_RNA)
where:
Base-Base interactions energy: -626.509
where: short stacking energy: -253.905
Base-Backbone interact. energy: -0.270
local terms energy: -285.145801
where:
bonds (distance) C4'-P energy: -49.562
bonds (distance) P-C4' energy: -66.665
flat angles C4'-P-C4' energy: -67.418
flat angles P-C4'-P energy: -38.103
tors. eta vs tors. theta energy: -63.397
Dist. restrs. and SS energy: 1.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -933.061040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.061040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.810078 (E_RNA)
where:
Base-Base interactions energy: -650.576
where: short stacking energy: -263.894
Base-Backbone interact. energy: 8.422
local terms energy: -295.655619
where:
bonds (distance) C4'-P energy: -55.960
bonds (distance) P-C4' energy: -63.588
flat angles C4'-P-C4' energy: -66.765
flat angles P-C4'-P energy: -37.197
tors. eta vs tors. theta energy: -72.146
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: 1, replica: 4
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1259.811041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.811041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.838656 (E_RNA)
where:
Base-Base interactions energy: -885.046
where: short stacking energy: -365.671
Base-Backbone interact. energy: 0.892
local terms energy: -378.684684
where:
bonds (distance) C4'-P energy: -64.256
bonds (distance) P-C4' energy: -71.748
flat angles C4'-P-C4' energy: -82.000
flat angles P-C4'-P energy: -53.345
tors. eta vs tors. theta energy: -107.334
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: 6
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1204.192926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.192926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.885713 (E_RNA)
where:
Base-Base interactions energy: -853.493
where: short stacking energy: -361.064
Base-Backbone interact. energy: 0.010
local terms energy: -353.403108
where:
bonds (distance) C4'-P energy: -62.915
bonds (distance) P-C4' energy: -59.822
flat angles C4'-P-C4' energy: -73.991
flat angles P-C4'-P energy: -53.029
tors. eta vs tors. theta energy: -103.646
Dist. restrs. and SS energy: 2.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1173.936570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.936570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.291035 (E_RNA)
where:
Base-Base interactions energy: -818.947
where: short stacking energy: -340.722
Base-Backbone interact. energy: -0.199
local terms energy: -357.144161
where:
bonds (distance) C4'-P energy: -64.083
bonds (distance) P-C4' energy: -70.185
flat angles C4'-P-C4' energy: -75.677
flat angles P-C4'-P energy: -47.030
tors. eta vs tors. theta energy: -100.170
Dist. restrs. and SS energy: 2.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1109.331296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.331296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.210230 (E_RNA)
where:
Base-Base interactions energy: -790.476
where: short stacking energy: -319.566
Base-Backbone interact. energy: 1.004
local terms energy: -324.738824
where:
bonds (distance) C4'-P energy: -58.206
bonds (distance) P-C4' energy: -63.261
flat angles C4'-P-C4' energy: -75.321
flat angles P-C4'-P energy: -46.458
tors. eta vs tors. theta energy: -81.493
Dist. restrs. and SS energy: 4.879 (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: 8
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1104.925686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.925686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.428121 (E_RNA)
where:
Base-Base interactions energy: -768.111
where: short stacking energy: -329.767
Base-Backbone interact. energy: -3.275
local terms energy: -340.041844
where:
bonds (distance) C4'-P energy: -62.662
bonds (distance) P-C4' energy: -71.182
flat angles C4'-P-C4' energy: -65.776
flat angles P-C4'-P energy: -42.072
tors. eta vs tors. theta energy: -98.351
Dist. restrs. and SS energy: 6.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1012.923909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.923909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.857397 (E_RNA)
where:
Base-Base interactions energy: -697.456
where: short stacking energy: -286.909
Base-Backbone interact. energy: -2.285
local terms energy: -316.116125
where:
bonds (distance) C4'-P energy: -55.211
bonds (distance) P-C4' energy: -61.314
flat angles C4'-P-C4' energy: -73.364
flat angles P-C4'-P energy: -49.156
tors. eta vs tors. theta energy: -77.072
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: 7, replica: 7
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1005.422579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.422579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.707533 (E_RNA)
where:
Base-Base interactions energy: -698.528
where: short stacking energy: -280.993
Base-Backbone interact. energy: -1.865
local terms energy: -310.314992
where:
bonds (distance) C4'-P energy: -60.003
bonds (distance) P-C4' energy: -66.656
flat angles C4'-P-C4' energy: -65.703
flat angles P-C4'-P energy: -47.513
tors. eta vs tors. theta energy: -70.439
Dist. restrs. and SS energy: 5.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -940.504211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.504211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.029321 (E_RNA)
where:
Base-Base interactions energy: -668.378
where: short stacking energy: -269.827
Base-Backbone interact. energy: -2.010
local terms energy: -271.641269
where:
bonds (distance) C4'-P energy: -56.799
bonds (distance) P-C4' energy: -61.849
flat angles C4'-P-C4' energy: -59.280
flat angles P-C4'-P energy: -30.078
tors. eta vs tors. theta energy: -63.635
Dist. restrs. and SS energy: 1.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -890.951977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.951977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.370122 (E_RNA)
where:
Base-Base interactions energy: -643.793
where: short stacking energy: -255.849
Base-Backbone interact. energy: -1.812
local terms energy: -248.765188
where:
bonds (distance) C4'-P energy: -50.765
bonds (distance) P-C4' energy: -54.525
flat angles C4'-P-C4' energy: -56.848
flat angles P-C4'-P energy: -31.773
tors. eta vs tors. theta energy: -54.854
Dist. restrs. and SS energy: 3.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -889.598946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.598946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.096217 (E_RNA)
where:
Base-Base interactions energy: -613.516
where: short stacking energy: -246.773
Base-Backbone interact. energy: 0.496
local terms energy: -282.076429
where:
bonds (distance) C4'-P energy: -60.866
bonds (distance) P-C4' energy: -53.064
flat angles C4'-P-C4' energy: -69.695
flat angles P-C4'-P energy: -35.302
tors. eta vs tors. theta energy: -63.150
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: 1, replica: 4
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1284.991207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.991207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.616040 (E_RNA)
where:
Base-Base interactions energy: -922.550
where: short stacking energy: -370.708
Base-Backbone interact. energy: 0.938
local terms energy: -367.004032
where:
bonds (distance) C4'-P energy: -65.256
bonds (distance) P-C4' energy: -64.741
flat angles C4'-P-C4' energy: -73.618
flat angles P-C4'-P energy: -54.841
tors. eta vs tors. theta energy: -108.548
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: 366
Temperature: 0.950000
Total energy: -1205.625629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.625629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.382593 (E_RNA)
where:
Base-Base interactions energy: -826.652
where: short stacking energy: -346.148
Base-Backbone interact. energy: -3.716
local terms energy: -379.014311
where:
bonds (distance) C4'-P energy: -73.119
bonds (distance) P-C4' energy: -62.541
flat angles C4'-P-C4' energy: -78.187
flat angles P-C4'-P energy: -60.100
tors. eta vs tors. theta energy: -105.068
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: 3, replica: 9
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1171.435062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.435062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.489744 (E_RNA)
where:
Base-Base interactions energy: -833.964
where: short stacking energy: -323.987
Base-Backbone interact. energy: -1.488
local terms energy: -340.038056
where:
bonds (distance) C4'-P energy: -64.387
bonds (distance) P-C4' energy: -57.500
flat angles C4'-P-C4' energy: -78.196
flat angles P-C4'-P energy: -54.080
tors. eta vs tors. theta energy: -85.875
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: 4, replica: 2
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1145.920133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.920133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.756752 (E_RNA)
where:
Base-Base interactions energy: -795.885
where: short stacking energy: -336.461
Base-Backbone interact. energy: -2.865
local terms energy: -350.006189
where:
bonds (distance) C4'-P energy: -62.835
bonds (distance) P-C4' energy: -55.687
flat angles C4'-P-C4' energy: -73.954
flat angles P-C4'-P energy: -61.743
tors. eta vs tors. theta energy: -95.786
Dist. restrs. and SS energy: 2.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1071.143778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.143778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.062984 (E_RNA)
where:
Base-Base interactions energy: -746.888
where: short stacking energy: -325.263
Base-Backbone interact. energy: 0.533
local terms energy: -328.707578
where:
bonds (distance) C4'-P energy: -61.860
bonds (distance) P-C4' energy: -60.786
flat angles C4'-P-C4' energy: -68.149
flat angles P-C4'-P energy: -48.872
tors. eta vs tors. theta energy: -89.041
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: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1059.309745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.309745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.457257 (E_RNA)
where:
Base-Base interactions energy: -735.724
where: short stacking energy: -308.311
Base-Backbone interact. energy: 0.306
local terms energy: -329.039604
where:
bonds (distance) C4'-P energy: -56.676
bonds (distance) P-C4' energy: -68.650
flat angles C4'-P-C4' energy: -61.329
flat angles P-C4'-P energy: -46.177
tors. eta vs tors. theta energy: -96.208
Dist. restrs. and SS energy: 5.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -977.060624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.060624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.279656 (E_RNA)
where:
Base-Base interactions energy: -683.795
where: short stacking energy: -253.529
Base-Backbone interact. energy: -1.235
local terms energy: -294.249324
where:
bonds (distance) C4'-P energy: -54.588
bonds (distance) P-C4' energy: -54.783
flat angles C4'-P-C4' energy: -71.271
flat angles P-C4'-P energy: -46.692
tors. eta vs tors. theta energy: -66.915
Dist. restrs. and SS energy: 2.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -911.372597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.372597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.222940 (E_RNA)
where:
Base-Base interactions energy: -621.527
where: short stacking energy: -238.823
Base-Backbone interact. energy: -2.119
local terms energy: -290.577518
where:
bonds (distance) C4'-P energy: -55.917
bonds (distance) P-C4' energy: -71.656
flat angles C4'-P-C4' energy: -65.598
flat angles P-C4'-P energy: -43.458
tors. eta vs tors. theta energy: -53.949
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: 9, replica: 10
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -915.475028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.475028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.732870 (E_RNA)
where:
Base-Base interactions energy: -653.407
where: short stacking energy: -257.671
Base-Backbone interact. energy: 1.122
local terms energy: -268.448325
where:
bonds (distance) C4'-P energy: -38.957
bonds (distance) P-C4' energy: -62.251
flat angles C4'-P-C4' energy: -69.934
flat angles P-C4'-P energy: -30.796
tors. eta vs tors. theta energy: -66.510
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: 10, replica: 1
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -873.582592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.582592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.459903 (E_RNA)
where:
Base-Base interactions energy: -599.236
where: short stacking energy: -224.472
Base-Backbone interact. energy: -1.676
local terms energy: -279.547830
where:
bonds (distance) C4'-P energy: -58.559
bonds (distance) P-C4' energy: -51.750
flat angles C4'-P-C4' energy: -64.616
flat angles P-C4'-P energy: -43.778
tors. eta vs tors. theta energy: -60.844
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: 1, replica: 4
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1275.978568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.978568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.188007 (E_RNA)
where:
Base-Base interactions energy: -893.386
where: short stacking energy: -360.404
Base-Backbone interact. energy: -2.395
local terms energy: -384.407630
where:
bonds (distance) C4'-P energy: -68.950
bonds (distance) P-C4' energy: -65.735
flat angles C4'-P-C4' energy: -80.442
flat angles P-C4'-P energy: -50.468
tors. eta vs tors. theta energy: -118.812
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: 2, replica: 6
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1230.511647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.511647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.440583 (E_RNA)
where:
Base-Base interactions energy: -849.126
where: short stacking energy: -344.776
Base-Backbone interact. energy: 1.672
local terms energy: -385.985897
where:
bonds (distance) C4'-P energy: -72.372
bonds (distance) P-C4' energy: -69.143
flat angles C4'-P-C4' energy: -81.845
flat angles P-C4'-P energy: -57.702
tors. eta vs tors. theta energy: -104.924
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: 9
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1170.232008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.232008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.200718 (E_RNA)
where:
Base-Base interactions energy: -823.792
where: short stacking energy: -319.206
Base-Backbone interact. energy: -3.859
local terms energy: -347.549296
where:
bonds (distance) C4'-P energy: -63.673
bonds (distance) P-C4' energy: -66.896
flat angles C4'-P-C4' energy: -75.608
flat angles P-C4'-P energy: -53.651
tors. eta vs tors. theta energy: -87.721
Dist. restrs. and SS energy: 4.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1137.609211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.609211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.905136 (E_RNA)
where:
Base-Base interactions energy: -802.332
where: short stacking energy: -321.919
Base-Backbone interact. energy: -3.051
local terms energy: -336.522163
where:
bonds (distance) C4'-P energy: -58.445
bonds (distance) P-C4' energy: -73.421
flat angles C4'-P-C4' energy: -74.011
flat angles P-C4'-P energy: -42.261
tors. eta vs tors. theta energy: -88.384
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: 5, replica: 8
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1052.070569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.070569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.249994 (E_RNA)
where:
Base-Base interactions energy: -738.632
where: short stacking energy: -289.162
Base-Backbone interact. energy: -1.066
local terms energy: -317.551424
where:
bonds (distance) C4'-P energy: -60.302
bonds (distance) P-C4' energy: -63.903
flat angles C4'-P-C4' energy: -69.243
flat angles P-C4'-P energy: -47.734
tors. eta vs tors. theta energy: -76.369
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: 6, replica: 7
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -990.570992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.570992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.851309 (E_RNA)
where:
Base-Base interactions energy: -694.501
where: short stacking energy: -269.854
Base-Backbone interact. energy: 1.208
local terms energy: -299.558240
where:
bonds (distance) C4'-P energy: -56.227
bonds (distance) P-C4' energy: -63.519
flat angles C4'-P-C4' energy: -64.374
flat angles P-C4'-P energy: -46.300
tors. eta vs tors. theta energy: -69.139
Dist. restrs. and SS energy: 2.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -988.031505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.031505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.935539 (E_RNA)
where:
Base-Base interactions energy: -694.553
where: short stacking energy: -286.265
Base-Backbone interact. energy: -1.622
local terms energy: -298.760434
where:
bonds (distance) C4'-P energy: -58.375
bonds (distance) P-C4' energy: -68.789
flat angles C4'-P-C4' energy: -56.581
flat angles P-C4'-P energy: -43.351
tors. eta vs tors. theta energy: -71.665
Dist. restrs. and SS energy: 6.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -916.552972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.552972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.764695 (E_RNA)
where:
Base-Base interactions energy: -643.930
where: short stacking energy: -244.070
Base-Backbone interact. energy: -0.488
local terms energy: -275.347542
where:
bonds (distance) C4'-P energy: -56.672
bonds (distance) P-C4' energy: -66.676
flat angles C4'-P-C4' energy: -59.164
flat angles P-C4'-P energy: -41.235
tors. eta vs tors. theta energy: -51.600
Dist. restrs. and SS energy: 3.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -945.989373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.989373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.920258 (E_RNA)
where:
Base-Base interactions energy: -668.144
where: short stacking energy: -268.549
Base-Backbone interact. energy: 0.061
local terms energy: -284.836861
where:
bonds (distance) C4'-P energy: -58.022
bonds (distance) P-C4' energy: -53.162
flat angles C4'-P-C4' energy: -75.084
flat angles P-C4'-P energy: -35.545
tors. eta vs tors. theta energy: -63.024
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: 10, replica: 1
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -879.620093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.620093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.953519 (E_RNA)
where:
Base-Base interactions energy: -636.026
where: short stacking energy: -238.267
Base-Backbone interact. energy: 0.234
local terms energy: -254.161778
where:
bonds (distance) C4'-P energy: -53.536
bonds (distance) P-C4' energy: -53.732
flat angles C4'-P-C4' energy: -50.534
flat angles P-C4'-P energy: -30.046
tors. eta vs tors. theta energy: -66.313
Dist. restrs. and SS energy: 10.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1280.374644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.374644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.031949 (E_RNA)
where:
Base-Base interactions energy: -895.680
where: short stacking energy: -369.954
Base-Backbone interact. energy: -1.210
local terms energy: -386.141664
where:
bonds (distance) C4'-P energy: -65.150
bonds (distance) P-C4' energy: -75.999
flat angles C4'-P-C4' energy: -84.687
flat angles P-C4'-P energy: -53.598
tors. eta vs tors. theta energy: -106.708
Dist. restrs. and SS energy: 2.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1195.929450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.929450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.811804 (E_RNA)
where:
Base-Base interactions energy: -824.245
where: short stacking energy: -346.701
Base-Backbone interact. energy: 0.151
local terms energy: -374.718123
where:
bonds (distance) C4'-P energy: -69.908
bonds (distance) P-C4' energy: -70.106
flat angles C4'-P-C4' energy: -81.346
flat angles P-C4'-P energy: -51.245
tors. eta vs tors. theta energy: -102.113
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: 3, replica: 9
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1184.191286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.191286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.700531 (E_RNA)
where:
Base-Base interactions energy: -839.799
where: short stacking energy: -348.889
Base-Backbone interact. energy: -4.020
local terms energy: -343.881107
where:
bonds (distance) C4'-P energy: -58.100
bonds (distance) P-C4' energy: -76.099
flat angles C4'-P-C4' energy: -65.621
flat angles P-C4'-P energy: -55.538
tors. eta vs tors. theta energy: -88.523
Dist. restrs. and SS energy: 3.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1135.942564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.942564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.598080 (E_RNA)
where:
Base-Base interactions energy: -791.733
where: short stacking energy: -331.732
Base-Backbone interact. energy: -1.354
local terms energy: -347.511218
where:
bonds (distance) C4'-P energy: -69.579
bonds (distance) P-C4' energy: -58.322
flat angles C4'-P-C4' energy: -76.948
flat angles P-C4'-P energy: -47.769
tors. eta vs tors. theta energy: -94.892
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: 5, replica: 8
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1079.751062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.751062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.302346 (E_RNA)
where:
Base-Base interactions energy: -758.592
where: short stacking energy: -309.748
Base-Backbone interact. energy: -0.393
local terms energy: -325.317215
where:
bonds (distance) C4'-P energy: -63.433
bonds (distance) P-C4' energy: -70.959
flat angles C4'-P-C4' energy: -71.116
flat angles P-C4'-P energy: -41.034
tors. eta vs tors. theta energy: -78.774
Dist. restrs. and SS energy: 4.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1024.800357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.800357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.846099 (E_RNA)
where:
Base-Base interactions energy: -713.088
where: short stacking energy: -293.962
Base-Backbone interact. energy: 1.521
local terms energy: -316.279436
where:
bonds (distance) C4'-P energy: -62.193
bonds (distance) P-C4' energy: -62.472
flat angles C4'-P-C4' energy: -79.681
flat angles P-C4'-P energy: -41.369
tors. eta vs tors. theta energy: -70.564
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: 7, replica: 5
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -941.220871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.220871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.976287 (E_RNA)
where:
Base-Base interactions energy: -658.224
where: short stacking energy: -273.577
Base-Backbone interact. energy: -2.966
local terms energy: -281.786449
where:
bonds (distance) C4'-P energy: -61.721
bonds (distance) P-C4' energy: -64.959
flat angles C4'-P-C4' energy: -53.871
flat angles P-C4'-P energy: -43.496
tors. eta vs tors. theta energy: -57.739
Dist. restrs. and SS energy: 1.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -946.934898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.934898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.653029 (E_RNA)
where:
Base-Base interactions energy: -657.269
where: short stacking energy: -262.171
Base-Backbone interact. energy: -1.476
local terms energy: -291.907574
where:
bonds (distance) C4'-P energy: -64.126
bonds (distance) P-C4' energy: -53.059
flat angles C4'-P-C4' energy: -64.445
flat angles P-C4'-P energy: -47.397
tors. eta vs tors. theta energy: -62.879
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: 9, replica: 10
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -926.056791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.056791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.850319 (E_RNA)
where:
Base-Base interactions energy: -659.295
where: short stacking energy: -257.714
Base-Backbone interact. energy: -1.326
local terms energy: -269.229424
where:
bonds (distance) C4'-P energy: -52.715
bonds (distance) P-C4' energy: -69.907
flat angles C4'-P-C4' energy: -49.435
flat angles P-C4'-P energy: -31.286
tors. eta vs tors. theta energy: -65.887
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: 1
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -893.336336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.336336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.687407 (E_RNA)
where:
Base-Base interactions energy: -620.334
where: short stacking energy: -244.712
Base-Backbone interact. energy: -1.422
local terms energy: -278.931145
where:
bonds (distance) C4'-P energy: -55.692
bonds (distance) P-C4' energy: -59.105
flat angles C4'-P-C4' energy: -69.919
flat angles P-C4'-P energy: -34.326
tors. eta vs tors. theta energy: -59.889
Dist. restrs. and SS energy: 7.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1265.066528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.066528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.989263 (E_RNA)
where:
Base-Base interactions energy: -901.421
where: short stacking energy: -386.651
Base-Backbone interact. energy: -1.794
local terms energy: -364.774131
where:
bonds (distance) C4'-P energy: -64.321
bonds (distance) P-C4' energy: -62.295
flat angles C4'-P-C4' energy: -72.162
flat angles P-C4'-P energy: -54.765
tors. eta vs tors. theta energy: -111.231
Dist. restrs. and SS energy: 2.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1187.084398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.084398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.075456 (E_RNA)
where:
Base-Base interactions energy: -806.892
where: short stacking energy: -333.570
Base-Backbone interact. energy: -0.536
local terms energy: -383.647368
where:
bonds (distance) C4'-P energy: -77.593
bonds (distance) P-C4' energy: -65.205
flat angles C4'-P-C4' energy: -83.132
flat angles P-C4'-P energy: -57.482
tors. eta vs tors. theta energy: -100.237
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: 3, replica: 9
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1189.099994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.099994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.091842 (E_RNA)
where:
Base-Base interactions energy: -835.019
where: short stacking energy: -346.717
Base-Backbone interact. energy: -2.530
local terms energy: -354.542828
where:
bonds (distance) C4'-P energy: -69.812
bonds (distance) P-C4' energy: -72.750
flat angles C4'-P-C4' energy: -64.564
flat angles P-C4'-P energy: -56.297
tors. eta vs tors. theta energy: -91.120
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: 4, replica: 2
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1139.445643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.445643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.150697 (E_RNA)
where:
Base-Base interactions energy: -763.365
where: short stacking energy: -313.821
Base-Backbone interact. energy: -1.533
local terms energy: -379.252529
where:
bonds (distance) C4'-P energy: -74.822
bonds (distance) P-C4' energy: -75.750
flat angles C4'-P-C4' energy: -73.545
flat angles P-C4'-P energy: -66.736
tors. eta vs tors. theta energy: -88.400
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: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1055.151470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.151470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.489341 (E_RNA)
where:
Base-Base interactions energy: -721.492
where: short stacking energy: -295.591
Base-Backbone interact. energy: 2.036
local terms energy: -340.032538
where:
bonds (distance) C4'-P energy: -69.595
bonds (distance) P-C4' energy: -72.301
flat angles C4'-P-C4' energy: -75.737
flat angles P-C4'-P energy: -49.139
tors. eta vs tors. theta energy: -73.260
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: 6, replica: 7
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1012.556436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.556436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.916104 (E_RNA)
where:
Base-Base interactions energy: -707.033
where: short stacking energy: -276.495
Base-Backbone interact. energy: -1.628
local terms energy: -306.254296
where:
bonds (distance) C4'-P energy: -51.051
bonds (distance) P-C4' energy: -61.213
flat angles C4'-P-C4' energy: -75.501
flat angles P-C4'-P energy: -38.988
tors. eta vs tors. theta energy: -79.502
Dist. restrs. and SS energy: 2.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -979.827232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.827232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.952223 (E_RNA)
where:
Base-Base interactions energy: -699.754
where: short stacking energy: -263.691
Base-Backbone interact. energy: -1.997
local terms energy: -279.201227
where:
bonds (distance) C4'-P energy: -62.207
bonds (distance) P-C4' energy: -54.631
flat angles C4'-P-C4' energy: -67.924
flat angles P-C4'-P energy: -35.282
tors. eta vs tors. theta energy: -59.157
Dist. restrs. and SS energy: 1.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -930.512028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.512028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.360444 (E_RNA)
where:
Base-Base interactions energy: -641.513
where: short stacking energy: -250.023
Base-Backbone interact. energy: -1.554
local terms energy: -290.292895
where:
bonds (distance) C4'-P energy: -51.163
bonds (distance) P-C4' energy: -62.706
flat angles C4'-P-C4' energy: -66.397
flat angles P-C4'-P energy: -52.699
tors. eta vs tors. theta energy: -57.328
Dist. restrs. and SS energy: 2.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -948.167728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.167728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.680667 (E_RNA)
where:
Base-Base interactions energy: -663.598
where: short stacking energy: -257.365
Base-Backbone interact. energy: -1.189
local terms energy: -287.893862
where:
bonds (distance) C4'-P energy: -65.521
bonds (distance) P-C4' energy: -60.189
flat angles C4'-P-C4' energy: -62.209
flat angles P-C4'-P energy: -40.908
tors. eta vs tors. theta energy: -59.068
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: 1
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -890.725242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.725242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.823486 (E_RNA)
where:
Base-Base interactions energy: -637.806
where: short stacking energy: -269.122
Base-Backbone interact. energy: -0.902
local terms energy: -253.115137
where:
bonds (distance) C4'-P energy: -41.046
bonds (distance) P-C4' energy: -54.987
flat angles C4'-P-C4' energy: -60.981
flat angles P-C4'-P energy: -33.648
tors. eta vs tors. theta energy: -62.453
Dist. restrs. and SS energy: 1.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1267.383168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.383168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.388734 (E_RNA)
where:
Base-Base interactions energy: -907.500
where: short stacking energy: -368.760
Base-Backbone interact. energy: 0.949
local terms energy: -363.837782
where:
bonds (distance) C4'-P energy: -68.345
bonds (distance) P-C4' energy: -59.976
flat angles C4'-P-C4' energy: -76.179
flat angles P-C4'-P energy: -54.324
tors. eta vs tors. theta energy: -105.014
Dist. restrs. and SS energy: 3.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1172.285408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.285408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.450427 (E_RNA)
where:
Base-Base interactions energy: -803.573
where: short stacking energy: -358.419
Base-Backbone interact. energy: -0.537
local terms energy: -374.340633
where:
bonds (distance) C4'-P energy: -63.355
bonds (distance) P-C4' energy: -72.717
flat angles C4'-P-C4' energy: -83.466
flat angles P-C4'-P energy: -50.417
tors. eta vs tors. theta energy: -104.386
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: 3, replica: 9
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1151.975144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.975144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.957155 (E_RNA)
where:
Base-Base interactions energy: -815.983
where: short stacking energy: -331.879
Base-Backbone interact. energy: -3.937
local terms energy: -338.037551
where:
bonds (distance) C4'-P energy: -54.965
bonds (distance) P-C4' energy: -66.178
flat angles C4'-P-C4' energy: -77.793
flat angles P-C4'-P energy: -46.021
tors. eta vs tors. theta energy: -93.081
Dist. restrs. and SS energy: 5.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1131.648138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.648138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.429662 (E_RNA)
where:
Base-Base interactions energy: -788.720
where: short stacking energy: -316.513
Base-Backbone interact. energy: -1.242
local terms energy: -346.467594
where:
bonds (distance) C4'-P energy: -63.768
bonds (distance) P-C4' energy: -75.825
flat angles C4'-P-C4' energy: -76.590
flat angles P-C4'-P energy: -44.443
tors. eta vs tors. theta energy: -85.841
Dist. restrs. and SS energy: 4.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1050.800565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.800565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.779400 (E_RNA)
where:
Base-Base interactions energy: -717.111
where: short stacking energy: -288.986
Base-Backbone interact. energy: -1.319
local terms energy: -336.349228
where:
bonds (distance) C4'-P energy: -71.171
bonds (distance) P-C4' energy: -72.235
flat angles C4'-P-C4' energy: -66.561
flat angles P-C4'-P energy: -41.896
tors. eta vs tors. theta energy: -84.486
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: 6, replica: 7
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1007.576923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.576923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.953358 (E_RNA)
where:
Base-Base interactions energy: -697.946
where: short stacking energy: -279.672
Base-Backbone interact. energy: -1.145
local terms energy: -311.862596
where:
bonds (distance) C4'-P energy: -63.245
bonds (distance) P-C4' energy: -62.293
flat angles C4'-P-C4' energy: -68.821
flat angles P-C4'-P energy: -39.568
tors. eta vs tors. theta energy: -77.935
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: 7, replica: 3
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -951.953098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.953098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.621698 (E_RNA)
where:
Base-Base interactions energy: -670.496
where: short stacking energy: -276.011
Base-Backbone interact. energy: -3.127
local terms energy: -287.998356
where:
bonds (distance) C4'-P energy: -55.771
bonds (distance) P-C4' energy: -62.764
flat angles C4'-P-C4' energy: -56.334
flat angles P-C4'-P energy: -39.968
tors. eta vs tors. theta energy: -73.161
Dist. restrs. and SS energy: 9.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -901.282782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.282782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.404984 (E_RNA)
where:
Base-Base interactions energy: -645.206
where: short stacking energy: -255.605
Base-Backbone interact. energy: -4.348
local terms energy: -252.850884
where:
bonds (distance) C4'-P energy: -57.795
bonds (distance) P-C4' energy: -61.271
flat angles C4'-P-C4' energy: -57.487
flat angles P-C4'-P energy: -34.955
tors. eta vs tors. theta energy: -41.343
Dist. restrs. and SS energy: 1.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -910.081552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.081552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.132283 (E_RNA)
where:
Base-Base interactions energy: -628.837
where: short stacking energy: -255.041
Base-Backbone interact. energy: -1.070
local terms energy: -287.225862
where:
bonds (distance) C4'-P energy: -53.589
bonds (distance) P-C4' energy: -55.158
flat angles C4'-P-C4' energy: -69.965
flat angles P-C4'-P energy: -38.647
tors. eta vs tors. theta energy: -69.868
Dist. restrs. and SS energy: 7.051 (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: 1
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -859.650856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.650856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.145879 (E_RNA)
where:
Base-Base interactions energy: -593.844
where: short stacking energy: -242.505
Base-Backbone interact. energy: -3.902
local terms energy: -270.400175
where:
bonds (distance) C4'-P energy: -52.812
bonds (distance) P-C4' energy: -48.056
flat angles C4'-P-C4' energy: -71.028
flat angles P-C4'-P energy: -43.487
tors. eta vs tors. theta energy: -55.016
Dist. restrs. and SS energy: 8.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1273.568304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.568304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.468644 (E_RNA)
where:
Base-Base interactions energy: -897.165
where: short stacking energy: -375.660
Base-Backbone interact. energy: -4.177
local terms energy: -376.126346
where:
bonds (distance) C4'-P energy: -58.361
bonds (distance) P-C4' energy: -74.769
flat angles C4'-P-C4' energy: -86.888
flat angles P-C4'-P energy: -52.698
tors. eta vs tors. theta energy: -103.410
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: 6
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1182.121068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.121068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.048508 (E_RNA)
where:
Base-Base interactions energy: -825.536
where: short stacking energy: -345.955
Base-Backbone interact. energy: 0.022
local terms energy: -359.534545
where:
bonds (distance) C4'-P energy: -59.408
bonds (distance) P-C4' energy: -73.336
flat angles C4'-P-C4' energy: -70.470
flat angles P-C4'-P energy: -57.393
tors. eta vs tors. theta energy: -98.928
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: 3, replica: 9
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1139.652380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.652380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.808336 (E_RNA)
where:
Base-Base interactions energy: -795.962
where: short stacking energy: -318.738
Base-Backbone interact. energy: -3.388
local terms energy: -347.458475
where:
bonds (distance) C4'-P energy: -60.557
bonds (distance) P-C4' energy: -69.889
flat angles C4'-P-C4' energy: -75.600
flat angles P-C4'-P energy: -50.355
tors. eta vs tors. theta energy: -91.056
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: 4, replica: 2
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1120.142965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.142965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.141487 (E_RNA)
where:
Base-Base interactions energy: -794.879
where: short stacking energy: -315.680
Base-Backbone interact. energy: -3.718
local terms energy: -325.544374
where:
bonds (distance) C4'-P energy: -53.999
bonds (distance) P-C4' energy: -61.928
flat angles C4'-P-C4' energy: -69.406
flat angles P-C4'-P energy: -52.592
tors. eta vs tors. theta energy: -87.620
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: 5, replica: 8
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1040.942319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.942319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.004975 (E_RNA)
where:
Base-Base interactions energy: -719.160
where: short stacking energy: -287.579
Base-Backbone interact. energy: -0.471
local terms energy: -323.374586
where:
bonds (distance) C4'-P energy: -58.930
bonds (distance) P-C4' energy: -74.135
flat angles C4'-P-C4' energy: -68.199
flat angles P-C4'-P energy: -38.848
tors. eta vs tors. theta energy: -83.262
Dist. restrs. and SS energy: 2.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1011.818432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.818432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.707966 (E_RNA)
where:
Base-Base interactions energy: -717.920
where: short stacking energy: -286.154
Base-Backbone interact. energy: 0.403
local terms energy: -299.190501
where:
bonds (distance) C4'-P energy: -62.214
bonds (distance) P-C4' energy: -57.165
flat angles C4'-P-C4' energy: -56.469
flat angles P-C4'-P energy: -44.357
tors. eta vs tors. theta energy: -78.985
Dist. restrs. and SS energy: 4.890 (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: 7
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -948.799845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.799845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.989486 (E_RNA)
where:
Base-Base interactions energy: -655.899
where: short stacking energy: -257.552
Base-Backbone interact. energy: -1.674
local terms energy: -294.416126
where:
bonds (distance) C4'-P energy: -56.666
bonds (distance) P-C4' energy: -60.140
flat angles C4'-P-C4' energy: -66.143
flat angles P-C4'-P energy: -36.305
tors. eta vs tors. theta energy: -75.162
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: 8, replica: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -956.852258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.852258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.964043 (E_RNA)
where:
Base-Base interactions energy: -671.881
where: short stacking energy: -246.146
Base-Backbone interact. energy: -0.951
local terms energy: -285.132509
where:
bonds (distance) C4'-P energy: -52.396
bonds (distance) P-C4' energy: -56.677
flat angles C4'-P-C4' energy: -64.665
flat angles P-C4'-P energy: -47.597
tors. eta vs tors. theta energy: -63.797
Dist. restrs. and SS energy: 1.112 (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: 5
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -886.653395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.653395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.650668 (E_RNA)
where:
Base-Base interactions energy: -630.175
where: short stacking energy: -248.575
Base-Backbone interact. energy: 0.069
local terms energy: -257.544802
where:
bonds (distance) C4'-P energy: -51.267
bonds (distance) P-C4' energy: -45.744
flat angles C4'-P-C4' energy: -67.307
flat angles P-C4'-P energy: -37.356
tors. eta vs tors. theta energy: -55.872
Dist. restrs. and SS energy: 0.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -859.049196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.049196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.400260 (E_RNA)
where:
Base-Base interactions energy: -595.019
where: short stacking energy: -246.940
Base-Backbone interact. energy: 2.704
local terms energy: -273.085626
where:
bonds (distance) C4'-P energy: -51.547
bonds (distance) P-C4' energy: -57.308
flat angles C4'-P-C4' energy: -66.333
flat angles P-C4'-P energy: -32.804
tors. eta vs tors. theta energy: -65.093
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: 1, replica: 4
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1281.602236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.602236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.384894 (E_RNA)
where:
Base-Base interactions energy: -906.685
where: short stacking energy: -368.851
Base-Backbone interact. energy: -2.474
local terms energy: -375.226201
where:
bonds (distance) C4'-P energy: -61.637
bonds (distance) P-C4' energy: -68.250
flat angles C4'-P-C4' energy: -83.851
flat angles P-C4'-P energy: -54.082
tors. eta vs tors. theta energy: -107.407
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: 2, replica: 6
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1170.254168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.254168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.519202 (E_RNA)
where:
Base-Base interactions energy: -815.908
where: short stacking energy: -343.833
Base-Backbone interact. energy: -1.224
local terms energy: -358.387967
where:
bonds (distance) C4'-P energy: -68.923
bonds (distance) P-C4' energy: -67.237
flat angles C4'-P-C4' energy: -80.174
flat angles P-C4'-P energy: -45.144
tors. eta vs tors. theta energy: -96.910
Dist. restrs. and SS energy: 5.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1171.739609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.739609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.271226 (E_RNA)
where:
Base-Base interactions energy: -816.686
where: short stacking energy: -329.569
Base-Backbone interact. energy: -0.535
local terms energy: -358.050317
where:
bonds (distance) C4'-P energy: -63.957
bonds (distance) P-C4' energy: -63.408
flat angles C4'-P-C4' energy: -78.599
flat angles P-C4'-P energy: -54.902
tors. eta vs tors. theta energy: -97.184
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: 4, replica: 9
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1103.948408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.948408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.463633 (E_RNA)
where:
Base-Base interactions energy: -780.315
where: short stacking energy: -303.837
Base-Backbone interact. energy: -3.841
local terms energy: -325.307335
where:
bonds (distance) C4'-P energy: -58.392
bonds (distance) P-C4' energy: -68.013
flat angles C4'-P-C4' energy: -75.571
flat angles P-C4'-P energy: -43.687
tors. eta vs tors. theta energy: -79.644
Dist. restrs. and SS energy: 5.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1046.629899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.629899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.089017 (E_RNA)
where:
Base-Base interactions energy: -731.993
where: short stacking energy: -298.900
Base-Backbone interact. energy: -3.464
local terms energy: -316.632513
where:
bonds (distance) C4'-P energy: -60.978
bonds (distance) P-C4' energy: -63.924
flat angles C4'-P-C4' energy: -62.315
flat angles P-C4'-P energy: -44.841
tors. eta vs tors. theta energy: -84.574
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: 6, replica: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1023.101855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.101855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.564685 (E_RNA)
where:
Base-Base interactions energy: -703.909
where: short stacking energy: -281.004
Base-Backbone interact. energy: 1.492
local terms energy: -326.147132
where:
bonds (distance) C4'-P energy: -58.673
bonds (distance) P-C4' energy: -65.932
flat angles C4'-P-C4' energy: -67.020
flat angles P-C4'-P energy: -56.900
tors. eta vs tors. theta energy: -77.621
Dist. restrs. and SS energy: 5.463 (S_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: 372
Temperature: 1.200000
Total energy: -948.009870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.009870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.834578 (E_RNA)
where:
Base-Base interactions energy: -657.742
where: short stacking energy: -263.717
Base-Backbone interact. energy: -1.692
local terms energy: -289.400934
where:
bonds (distance) C4'-P energy: -63.469
bonds (distance) P-C4' energy: -60.832
flat angles C4'-P-C4' energy: -57.754
flat angles P-C4'-P energy: -51.114
tors. eta vs tors. theta energy: -56.232
Dist. restrs. and SS energy: 0.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -932.302234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.302234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.142282 (E_RNA)
where:
Base-Base interactions energy: -647.576
where: short stacking energy: -261.678
Base-Backbone interact. energy: 3.213
local terms energy: -290.779427
where:
bonds (distance) C4'-P energy: -70.445
bonds (distance) P-C4' energy: -55.559
flat angles C4'-P-C4' energy: -69.228
flat angles P-C4'-P energy: -31.196
tors. eta vs tors. theta energy: -64.352
Dist. restrs. and SS energy: 2.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -903.473965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.473965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.553874 (E_RNA)
where:
Base-Base interactions energy: -649.916
where: short stacking energy: -251.558
Base-Backbone interact. energy: -2.294
local terms energy: -256.344277
where:
bonds (distance) C4'-P energy: -45.224
bonds (distance) P-C4' energy: -46.830
flat angles C4'-P-C4' energy: -61.187
flat angles P-C4'-P energy: -50.141
tors. eta vs tors. theta energy: -52.963
Dist. restrs. and SS energy: 5.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -858.901287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.901287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.165477 (E_RNA)
where:
Base-Base interactions energy: -595.472
where: short stacking energy: -235.485
Base-Backbone interact. energy: -2.998
local terms energy: -269.695034
where:
bonds (distance) C4'-P energy: -49.847
bonds (distance) P-C4' energy: -73.185
flat angles C4'-P-C4' energy: -47.036
flat angles P-C4'-P energy: -41.400
tors. eta vs tors. theta energy: -58.227
Dist. restrs. and SS energy: 9.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1283.448117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.448117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.708798 (E_RNA)
where:
Base-Base interactions energy: -902.958
where: short stacking energy: -366.284
Base-Backbone interact. energy: -1.015
local terms energy: -381.736159
where:
bonds (distance) C4'-P energy: -71.230
bonds (distance) P-C4' energy: -75.451
flat angles C4'-P-C4' energy: -72.988
flat angles P-C4'-P energy: -54.227
tors. eta vs tors. theta energy: -107.840
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: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1218.485734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.485734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.870732 (E_RNA)
where:
Base-Base interactions energy: -847.612
where: short stacking energy: -360.602
Base-Backbone interact. energy: -0.674
local terms energy: -373.584295
where:
bonds (distance) C4'-P energy: -61.629
bonds (distance) P-C4' energy: -60.032
flat angles C4'-P-C4' energy: -78.613
flat angles P-C4'-P energy: -61.764
tors. eta vs tors. theta energy: -111.546
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: 3, replica: 6
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1179.817099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.817099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.855023 (E_RNA)
where:
Base-Base interactions energy: -831.190
where: short stacking energy: -337.590
Base-Backbone interact. energy: -2.095
local terms energy: -349.570203
where:
bonds (distance) C4'-P energy: -50.631
bonds (distance) P-C4' energy: -70.957
flat angles C4'-P-C4' energy: -82.620
flat angles P-C4'-P energy: -49.149
tors. eta vs tors. theta energy: -96.212
Dist. restrs. and SS energy: 3.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1088.342689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.342689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.092587 (E_RNA)
where:
Base-Base interactions energy: -758.734
where: short stacking energy: -321.536
Base-Backbone interact. energy: -1.559
local terms energy: -332.798946
where:
bonds (distance) C4'-P energy: -66.731
bonds (distance) P-C4' energy: -61.555
flat angles C4'-P-C4' energy: -73.102
flat angles P-C4'-P energy: -48.619
tors. eta vs tors. theta energy: -82.792
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: 8
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1068.859620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.859620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.736992 (E_RNA)
where:
Base-Base interactions energy: -748.708
where: short stacking energy: -307.638
Base-Backbone interact. energy: -3.001
local terms energy: -321.027974
where:
bonds (distance) C4'-P energy: -51.611
bonds (distance) P-C4' energy: -61.383
flat angles C4'-P-C4' energy: -68.717
flat angles P-C4'-P energy: -49.888
tors. eta vs tors. theta energy: -89.429
Dist. restrs. and SS energy: 3.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1012.220642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.220642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.965332 (E_RNA)
where:
Base-Base interactions energy: -692.540
where: short stacking energy: -283.292
Base-Backbone interact. energy: -1.626
local terms energy: -325.799048
where:
bonds (distance) C4'-P energy: -65.979
bonds (distance) P-C4' energy: -67.731
flat angles C4'-P-C4' energy: -73.223
flat angles P-C4'-P energy: -40.133
tors. eta vs tors. theta energy: -78.733
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: 7, replica: 10
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -950.458901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.458901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.198090 (E_RNA)
where:
Base-Base interactions energy: -656.108
where: short stacking energy: -279.363
Base-Backbone interact. energy: 1.029
local terms energy: -301.118831
where:
bonds (distance) C4'-P energy: -56.061
bonds (distance) P-C4' energy: -67.524
flat angles C4'-P-C4' energy: -66.422
flat angles P-C4'-P energy: -43.907
tors. eta vs tors. theta energy: -67.204
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: 8, replica: 7
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -933.553564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.553564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.467020 (E_RNA)
where:
Base-Base interactions energy: -669.919
where: short stacking energy: -279.474
Base-Backbone interact. energy: -0.602
local terms energy: -266.945446
where:
bonds (distance) C4'-P energy: -45.840
bonds (distance) P-C4' energy: -58.844
flat angles C4'-P-C4' energy: -54.973
flat angles P-C4'-P energy: -42.233
tors. eta vs tors. theta energy: -65.055
Dist. restrs. and SS energy: 3.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -924.749213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.749213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.594786 (E_RNA)
where:
Base-Base interactions energy: -649.505
where: short stacking energy: -267.198
Base-Backbone interact. energy: -1.045
local terms energy: -284.044278
where:
bonds (distance) C4'-P energy: -50.633
bonds (distance) P-C4' energy: -61.783
flat angles C4'-P-C4' energy: -67.419
flat angles P-C4'-P energy: -34.904
tors. eta vs tors. theta energy: -69.306
Dist. restrs. and SS energy: 9.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -854.184298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.184298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.836763 (E_RNA)
where:
Base-Base interactions energy: -613.050
where: short stacking energy: -227.490
Base-Backbone interact. energy: 1.613
local terms energy: -250.399442
where:
bonds (distance) C4'-P energy: -41.010
bonds (distance) P-C4' energy: -64.399
flat angles C4'-P-C4' energy: -63.444
flat angles P-C4'-P energy: -33.234
tors. eta vs tors. theta energy: -48.313
Dist. restrs. and SS energy: 7.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1280.954934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.954934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.868278 (E_RNA)
where:
Base-Base interactions energy: -912.882
where: short stacking energy: -361.607
Base-Backbone interact. energy: -1.282
local terms energy: -369.703436
where:
bonds (distance) C4'-P energy: -60.338
bonds (distance) P-C4' energy: -67.783
flat angles C4'-P-C4' energy: -75.656
flat angles P-C4'-P energy: -55.022
tors. eta vs tors. theta energy: -110.904
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: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1199.050926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.050926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.327906 (E_RNA)
where:
Base-Base interactions energy: -851.538
where: short stacking energy: -355.287
Base-Backbone interact. energy: -2.247
local terms energy: -347.542831
where:
bonds (distance) C4'-P energy: -63.391
bonds (distance) P-C4' energy: -63.052
flat angles C4'-P-C4' energy: -73.319
flat angles P-C4'-P energy: -49.857
tors. eta vs tors. theta energy: -97.924
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: 3, replica: 6
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1160.375525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.375525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.354389 (E_RNA)
where:
Base-Base interactions energy: -810.630
where: short stacking energy: -327.911
Base-Backbone interact. energy: -2.887
local terms energy: -349.837430
where:
bonds (distance) C4'-P energy: -70.402
bonds (distance) P-C4' energy: -66.687
flat angles C4'-P-C4' energy: -70.224
flat angles P-C4'-P energy: -45.814
tors. eta vs tors. theta energy: -96.710
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: 4, replica: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1111.328270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.328270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.704388 (E_RNA)
where:
Base-Base interactions energy: -782.417
where: short stacking energy: -313.611
Base-Backbone interact. energy: -2.707
local terms energy: -331.581109
where:
bonds (distance) C4'-P energy: -56.974
bonds (distance) P-C4' energy: -65.983
flat angles C4'-P-C4' energy: -69.232
flat angles P-C4'-P energy: -47.483
tors. eta vs tors. theta energy: -91.909
Dist. restrs. and SS energy: 5.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1024.078720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.078720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.345189 (E_RNA)
where:
Base-Base interactions energy: -716.031
where: short stacking energy: -291.227
Base-Backbone interact. energy: -2.322
local terms energy: -312.991377
where:
bonds (distance) C4'-P energy: -55.864
bonds (distance) P-C4' energy: -64.914
flat angles C4'-P-C4' energy: -73.371
flat angles P-C4'-P energy: -40.667
tors. eta vs tors. theta energy: -78.175
Dist. restrs. and SS energy: 7.266 (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: 374
Temperature: 1.150000
Total energy: -1040.579379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.579379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.939413 (E_RNA)
where:
Base-Base interactions energy: -723.150
where: short stacking energy: -292.665
Base-Backbone interact. energy: -3.892
local terms energy: -317.897434
where:
bonds (distance) C4'-P energy: -60.269
bonds (distance) P-C4' energy: -60.492
flat angles C4'-P-C4' energy: -72.366
flat angles P-C4'-P energy: -43.050
tors. eta vs tors. theta energy: -81.721
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: 7, replica: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -978.940706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.940706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.548075 (E_RNA)
where:
Base-Base interactions energy: -697.544
where: short stacking energy: -281.338
Base-Backbone interact. energy: 4.785
local terms energy: -288.789579
where:
bonds (distance) C4'-P energy: -58.303
bonds (distance) P-C4' energy: -46.102
flat angles C4'-P-C4' energy: -74.861
flat angles P-C4'-P energy: -38.708
tors. eta vs tors. theta energy: -70.815
Dist. restrs. and SS energy: 2.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -927.783318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.783318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.987233 (E_RNA)
where:
Base-Base interactions energy: -641.835
where: short stacking energy: -252.715
Base-Backbone interact. energy: -2.231
local terms energy: -285.920698
where:
bonds (distance) C4'-P energy: -61.918
bonds (distance) P-C4' energy: -62.477
flat angles C4'-P-C4' energy: -65.672
flat angles P-C4'-P energy: -42.277
tors. eta vs tors. theta energy: -53.575
Dist. restrs. and SS energy: 2.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -916.640482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.640482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.834798 (E_RNA)
where:
Base-Base interactions energy: -638.668
where: short stacking energy: -250.099
Base-Backbone interact. energy: 1.183
local terms energy: -286.349642
where:
bonds (distance) C4'-P energy: -53.299
bonds (distance) P-C4' energy: -48.391
flat angles C4'-P-C4' energy: -75.138
flat angles P-C4'-P energy: -49.702
tors. eta vs tors. theta energy: -59.819
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: 10, replica: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -829.997848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.997848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.404030 (E_RNA)
where:
Base-Base interactions energy: -583.859
where: short stacking energy: -234.861
Base-Backbone interact. energy: -1.567
local terms energy: -251.978348
where:
bonds (distance) C4'-P energy: -60.069
bonds (distance) P-C4' energy: -57.802
flat angles C4'-P-C4' energy: -52.756
flat angles P-C4'-P energy: -39.005
tors. eta vs tors. theta energy: -42.347
Dist. restrs. and SS energy: 7.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1274.476328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.476328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.129246 (E_RNA)
where:
Base-Base interactions energy: -908.946
where: short stacking energy: -360.593
Base-Backbone interact. energy: -2.213
local terms energy: -365.970679
where:
bonds (distance) C4'-P energy: -62.000
bonds (distance) P-C4' energy: -77.035
flat angles C4'-P-C4' energy: -77.867
flat angles P-C4'-P energy: -45.983
tors. eta vs tors. theta energy: -103.085
Dist. restrs. and SS energy: 2.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1217.545537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.545537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.412816 (E_RNA)
where:
Base-Base interactions energy: -850.249
where: short stacking energy: -361.894
Base-Backbone interact. energy: -2.905
local terms energy: -368.258334
where:
bonds (distance) C4'-P energy: -67.305
bonds (distance) P-C4' energy: -63.734
flat angles C4'-P-C4' energy: -84.912
flat angles P-C4'-P energy: -49.756
tors. eta vs tors. theta energy: -102.551
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: 3, replica: 6
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1179.663244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.663244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.161917 (E_RNA)
where:
Base-Base interactions energy: -824.036
where: short stacking energy: -344.008
Base-Backbone interact. energy: -2.446
local terms energy: -355.679312
where:
bonds (distance) C4'-P energy: -69.369
bonds (distance) P-C4' energy: -61.990
flat angles C4'-P-C4' energy: -73.031
flat angles P-C4'-P energy: -46.410
tors. eta vs tors. theta energy: -104.879
Dist. restrs. and SS energy: 2.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1082.261526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.261526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.185155 (E_RNA)
where:
Base-Base interactions energy: -748.120
where: short stacking energy: -319.727
Base-Backbone interact. energy: -1.135
local terms energy: -337.929224
where:
bonds (distance) C4'-P energy: -65.318
bonds (distance) P-C4' energy: -62.816
flat angles C4'-P-C4' energy: -73.542
flat angles P-C4'-P energy: -45.454
tors. eta vs tors. theta energy: -90.799
Dist. restrs. and SS energy: 4.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1039.990893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.990893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.456213 (E_RNA)
where:
Base-Base interactions energy: -706.753
where: short stacking energy: -291.026
Base-Backbone interact. energy: 1.204
local terms energy: -342.907401
where:
bonds (distance) C4'-P energy: -70.387
bonds (distance) P-C4' energy: -77.405
flat angles C4'-P-C4' energy: -63.882
flat angles P-C4'-P energy: -45.987
tors. eta vs tors. theta energy: -85.246
Dist. restrs. and SS energy: 8.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -971.730778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.730778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.652090 (E_RNA)
where:
Base-Base interactions energy: -670.466
where: short stacking energy: -277.122
Base-Backbone interact. energy: -1.867
local terms energy: -302.318436
where:
bonds (distance) C4'-P energy: -43.024
bonds (distance) P-C4' energy: -68.185
flat angles C4'-P-C4' energy: -69.345
flat angles P-C4'-P energy: -44.597
tors. eta vs tors. theta energy: -77.167
Dist. restrs. and SS energy: 2.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1001.700753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.700753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.262850 (E_RNA)
where:
Base-Base interactions energy: -692.389
where: short stacking energy: -283.544
Base-Backbone interact. energy: -2.343
local terms energy: -312.530949
where:
bonds (distance) C4'-P energy: -57.567
bonds (distance) P-C4' energy: -60.756
flat angles C4'-P-C4' energy: -67.021
flat angles P-C4'-P energy: -49.441
tors. eta vs tors. theta energy: -77.746
Dist. restrs. and SS energy: 5.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -975.215022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.215022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.268058 (E_RNA)
where:
Base-Base interactions energy: -679.940
where: short stacking energy: -272.800
Base-Backbone interact. energy: 2.303
local terms energy: -303.631558
where:
bonds (distance) C4'-P energy: -53.716
bonds (distance) P-C4' energy: -67.315
flat angles C4'-P-C4' energy: -78.236
flat angles P-C4'-P energy: -37.918
tors. eta vs tors. theta energy: -66.447
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: 9, replica: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -933.996932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.996932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.504895 (E_RNA)
where:
Base-Base interactions energy: -652.791
where: short stacking energy: -242.959
Base-Backbone interact. energy: -1.428
local terms energy: -284.285704
where:
bonds (distance) C4'-P energy: -64.268
bonds (distance) P-C4' energy: -46.245
flat angles C4'-P-C4' energy: -73.317
flat angles P-C4'-P energy: -32.485
tors. eta vs tors. theta energy: -67.971
Dist. restrs. and SS energy: 4.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -871.961763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.961763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.287900 (E_RNA)
where:
Base-Base interactions energy: -618.449
where: short stacking energy: -241.223
Base-Backbone interact. energy: -1.048
local terms energy: -257.791181
where:
bonds (distance) C4'-P energy: -55.875
bonds (distance) P-C4' energy: -64.153
flat angles C4'-P-C4' energy: -51.370
flat angles P-C4'-P energy: -31.188
tors. eta vs tors. theta energy: -55.205
Dist. restrs. and SS energy: 5.326 (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: 4
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1269.249326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.249326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.760891 (E_RNA)
where:
Base-Base interactions energy: -872.961
where: short stacking energy: -344.412
Base-Backbone interact. energy: -2.141
local terms energy: -397.659179
where:
bonds (distance) C4'-P energy: -79.652
bonds (distance) P-C4' energy: -72.886
flat angles C4'-P-C4' energy: -83.762
flat angles P-C4'-P energy: -52.988
tors. eta vs tors. theta energy: -108.372
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: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1219.762737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.762737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.265926 (E_RNA)
where:
Base-Base interactions energy: -839.399
where: short stacking energy: -325.809
Base-Backbone interact. energy: -1.311
local terms energy: -382.555782
where:
bonds (distance) C4'-P energy: -78.417
bonds (distance) P-C4' energy: -71.209
flat angles C4'-P-C4' energy: -81.339
flat angles P-C4'-P energy: -50.064
tors. eta vs tors. theta energy: -101.528
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: 3, replica: 6
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1167.173767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.173767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.524549 (E_RNA)
where:
Base-Base interactions energy: -808.483
where: short stacking energy: -365.495
Base-Backbone interact. energy: 0.348
local terms energy: -362.389398
where:
bonds (distance) C4'-P energy: -70.646
bonds (distance) P-C4' energy: -59.138
flat angles C4'-P-C4' energy: -75.602
flat angles P-C4'-P energy: -52.312
tors. eta vs tors. theta energy: -104.691
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: 4, replica: 9
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1102.101583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.101583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.934187 (E_RNA)
where:
Base-Base interactions energy: -743.236
where: short stacking energy: -304.906
Base-Backbone interact. energy: -1.176
local terms energy: -363.522167
where:
bonds (distance) C4'-P energy: -73.977
bonds (distance) P-C4' energy: -74.289
flat angles C4'-P-C4' energy: -70.846
flat angles P-C4'-P energy: -56.924
tors. eta vs tors. theta energy: -87.486
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: 5, replica: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1014.956152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.956152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.612020 (E_RNA)
where:
Base-Base interactions energy: -708.033
where: short stacking energy: -286.021
Base-Backbone interact. energy: 1.194
local terms energy: -315.773154
where:
bonds (distance) C4'-P energy: -64.485
bonds (distance) P-C4' energy: -60.235
flat angles C4'-P-C4' energy: -59.481
flat angles P-C4'-P energy: -46.580
tors. eta vs tors. theta energy: -84.992
Dist. restrs. and SS energy: 7.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -999.213436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.213436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.820449 (E_RNA)
where:
Base-Base interactions energy: -714.794
where: short stacking energy: -282.123
Base-Backbone interact. energy: -1.189
local terms energy: -283.838014
where:
bonds (distance) C4'-P energy: -45.870
bonds (distance) P-C4' energy: -58.522
flat angles C4'-P-C4' energy: -64.516
flat angles P-C4'-P energy: -49.643
tors. eta vs tors. theta energy: -65.286
Dist. restrs. and SS energy: 0.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -985.203279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.203279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.277864 (E_RNA)
where:
Base-Base interactions energy: -677.045
where: short stacking energy: -298.239
Base-Backbone interact. energy: 1.964
local terms energy: -316.197143
where:
bonds (distance) C4'-P energy: -76.453
bonds (distance) P-C4' energy: -53.608
flat angles C4'-P-C4' energy: -67.998
flat angles P-C4'-P energy: -41.904
tors. eta vs tors. theta energy: -76.233
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: 1
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -950.960282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.960282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.383314 (E_RNA)
where:
Base-Base interactions energy: -638.870
where: short stacking energy: -266.885
Base-Backbone interact. energy: -1.747
local terms energy: -312.765944
where:
bonds (distance) C4'-P energy: -64.736
bonds (distance) P-C4' energy: -68.127
flat angles C4'-P-C4' energy: -63.096
flat angles P-C4'-P energy: -50.107
tors. eta vs tors. theta energy: -66.700
Dist. restrs. and SS energy: 2.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -953.664572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.664572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.891701 (E_RNA)
where:
Base-Base interactions energy: -676.455
where: short stacking energy: -275.822
Base-Backbone interact. energy: -2.455
local terms energy: -277.982181
where:
bonds (distance) C4'-P energy: -40.839
bonds (distance) P-C4' energy: -50.669
flat angles C4'-P-C4' energy: -63.914
flat angles P-C4'-P energy: -48.403
tors. eta vs tors. theta energy: -74.157
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: 10, replica: 5
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -871.604050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.604050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.720735 (E_RNA)
where:
Base-Base interactions energy: -619.383
where: short stacking energy: -251.295
Base-Backbone interact. energy: 0.010
local terms energy: -259.347784
where:
bonds (distance) C4'-P energy: -47.240
bonds (distance) P-C4' energy: -60.817
flat angles C4'-P-C4' energy: -59.115
flat angles P-C4'-P energy: -45.592
tors. eta vs tors. theta energy: -46.584
Dist. restrs. and SS energy: 7.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1290.911749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.911749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.636962 (E_RNA)
where:
Base-Base interactions energy: -916.328
where: short stacking energy: -357.376
Base-Backbone interact. energy: -2.950
local terms energy: -374.359030
where:
bonds (distance) C4'-P energy: -61.443
bonds (distance) P-C4' energy: -66.695
flat angles C4'-P-C4' energy: -89.837
flat angles P-C4'-P energy: -56.817
tors. eta vs tors. theta energy: -99.567
Dist. restrs. and SS energy: 2.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1182.398185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.398185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.436607 (E_RNA)
where:
Base-Base interactions energy: -831.783
where: short stacking energy: -346.508
Base-Backbone interact. energy: -4.060
local terms energy: -350.593359
where:
bonds (distance) C4'-P energy: -60.918
bonds (distance) P-C4' energy: -57.751
flat angles C4'-P-C4' energy: -77.534
flat angles P-C4'-P energy: -45.047
tors. eta vs tors. theta energy: -109.344
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: 3, replica: 2
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1185.820593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.820593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.191794 (E_RNA)
where:
Base-Base interactions energy: -827.914
where: short stacking energy: -344.486
Base-Backbone interact. energy: -4.543
local terms energy: -356.734410
where:
bonds (distance) C4'-P energy: -72.711
bonds (distance) P-C4' energy: -56.992
flat angles C4'-P-C4' energy: -76.680
flat angles P-C4'-P energy: -52.338
tors. eta vs tors. theta energy: -98.013
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: 4, replica: 9
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1099.509982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.509982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.972011 (E_RNA)
where:
Base-Base interactions energy: -749.617
where: short stacking energy: -312.589
Base-Backbone interact. energy: -2.315
local terms energy: -354.040409
where:
bonds (distance) C4'-P energy: -70.011
bonds (distance) P-C4' energy: -61.313
flat angles C4'-P-C4' energy: -80.206
flat angles P-C4'-P energy: -48.219
tors. eta vs tors. theta energy: -94.291
Dist. restrs. and SS energy: 6.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1036.624594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.624594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.107485 (E_RNA)
where:
Base-Base interactions energy: -738.603
where: short stacking energy: -309.685
Base-Backbone interact. energy: -0.840
local terms energy: -306.664765
where:
bonds (distance) C4'-P energy: -51.354
bonds (distance) P-C4' energy: -58.748
flat angles C4'-P-C4' energy: -70.867
flat angles P-C4'-P energy: -42.157
tors. eta vs tors. theta energy: -83.539
Dist. restrs. and SS energy: 9.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1010.427194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.427194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.933890 (E_RNA)
where:
Base-Base interactions energy: -726.774
where: short stacking energy: -288.847
Base-Backbone interact. energy: -0.359
local terms energy: -285.800689
where:
bonds (distance) C4'-P energy: -59.028
bonds (distance) P-C4' energy: -63.372
flat angles C4'-P-C4' energy: -58.752
flat angles P-C4'-P energy: -31.701
tors. eta vs tors. theta energy: -72.948
Dist. restrs. and SS energy: 2.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1015.459048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.459048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.072402 (E_RNA)
where:
Base-Base interactions energy: -709.087
where: short stacking energy: -296.874
Base-Backbone interact. energy: -1.206
local terms energy: -306.779326
where:
bonds (distance) C4'-P energy: -66.324
bonds (distance) P-C4' energy: -51.770
flat angles C4'-P-C4' energy: -68.534
flat angles P-C4'-P energy: -38.818
tors. eta vs tors. theta energy: -81.334
Dist. restrs. and SS energy: 1.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -921.509365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.509365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.015381 (E_RNA)
where:
Base-Base interactions energy: -640.424
where: short stacking energy: -240.935
Base-Backbone interact. energy: -1.677
local terms energy: -282.914895
where:
bonds (distance) C4'-P energy: -71.496
bonds (distance) P-C4' energy: -50.279
flat angles C4'-P-C4' energy: -59.100
flat angles P-C4'-P energy: -45.886
tors. eta vs tors. theta energy: -56.154
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: 9, replica: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -909.169056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.169056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.977380 (E_RNA)
where:
Base-Base interactions energy: -643.299
where: short stacking energy: -258.036
Base-Backbone interact. energy: -0.628
local terms energy: -273.050679
where:
bonds (distance) C4'-P energy: -46.958
bonds (distance) P-C4' energy: -53.454
flat angles C4'-P-C4' energy: -68.478
flat angles P-C4'-P energy: -48.360
tors. eta vs tors. theta energy: -55.801
Dist. restrs. and SS energy: 7.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -849.135212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.135212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.219034 (E_RNA)
where:
Base-Base interactions energy: -602.739
where: short stacking energy: -233.461
Base-Backbone interact. energy: 3.848
local terms energy: -256.328460
where:
bonds (distance) C4'-P energy: -53.396
bonds (distance) P-C4' energy: -55.521
flat angles C4'-P-C4' energy: -54.003
flat angles P-C4'-P energy: -43.702
tors. eta vs tors. theta energy: -49.706
Dist. restrs. and SS energy: 6.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1292.739517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.739517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.467312 (E_RNA)
where:
Base-Base interactions energy: -924.707
where: short stacking energy: -353.141
Base-Backbone interact. energy: -1.860
local terms energy: -369.900927
where:
bonds (distance) C4'-P energy: -65.241
bonds (distance) P-C4' energy: -75.551
flat angles C4'-P-C4' energy: -78.396
flat angles P-C4'-P energy: -55.306
tors. eta vs tors. theta energy: -95.407
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: 2, replica: 6
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1192.730293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.730293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.819467 (E_RNA)
where:
Base-Base interactions energy: -811.106
where: short stacking energy: -343.711
Base-Backbone interact. energy: -1.843
local terms energy: -384.870855
where:
bonds (distance) C4'-P energy: -76.622
bonds (distance) P-C4' energy: -69.264
flat angles C4'-P-C4' energy: -77.178
flat angles P-C4'-P energy: -50.289
tors. eta vs tors. theta energy: -111.517
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: 3, replica: 2
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1184.089135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.089135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.957421 (E_RNA)
where:
Base-Base interactions energy: -841.313
where: short stacking energy: -346.169
Base-Backbone interact. energy: -1.778
local terms energy: -343.866530
where:
bonds (distance) C4'-P energy: -57.160
bonds (distance) P-C4' energy: -55.195
flat angles C4'-P-C4' energy: -82.033
flat angles P-C4'-P energy: -50.520
tors. eta vs tors. theta energy: -98.957
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: 9
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1134.179074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.179074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.486968 (E_RNA)
where:
Base-Base interactions energy: -792.164
where: short stacking energy: -335.185
Base-Backbone interact. energy: -3.688
local terms energy: -342.634891
where:
bonds (distance) C4'-P energy: -72.498
bonds (distance) P-C4' energy: -62.048
flat angles C4'-P-C4' energy: -69.407
flat angles P-C4'-P energy: -45.875
tors. eta vs tors. theta energy: -92.806
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: 5, replica: 8
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1024.412832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.412832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.116063 (E_RNA)
where:
Base-Base interactions energy: -696.599
where: short stacking energy: -278.189
Base-Backbone interact. energy: -1.759
local terms energy: -332.758469
where:
bonds (distance) C4'-P energy: -72.254
bonds (distance) P-C4' energy: -68.712
flat angles C4'-P-C4' energy: -72.922
flat angles P-C4'-P energy: -42.024
tors. eta vs tors. theta energy: -76.846
Dist. restrs. and SS energy: 6.703 (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: 378
Temperature: 1.150000
Total energy: -996.874823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.874823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.693192 (E_RNA)
where:
Base-Base interactions energy: -677.451
where: short stacking energy: -270.983
Base-Backbone interact. energy: 2.579
local terms energy: -330.821201
where:
bonds (distance) C4'-P energy: -81.817
bonds (distance) P-C4' energy: -65.988
flat angles C4'-P-C4' energy: -68.195
flat angles P-C4'-P energy: -52.877
tors. eta vs tors. theta energy: -61.945
Dist. restrs. and SS energy: 8.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -967.616241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.616241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.164691 (E_RNA)
where:
Base-Base interactions energy: -664.819
where: short stacking energy: -256.295
Base-Backbone interact. energy: -0.501
local terms energy: -303.844869
where:
bonds (distance) C4'-P energy: -50.589
bonds (distance) P-C4' energy: -62.010
flat angles C4'-P-C4' energy: -71.434
flat angles P-C4'-P energy: -45.888
tors. eta vs tors. theta energy: -73.925
Dist. restrs. and SS energy: 1.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -932.966268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.966268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.008442 (E_RNA)
where:
Base-Base interactions energy: -650.339
where: short stacking energy: -252.692
Base-Backbone interact. energy: -0.506
local terms energy: -286.162910
where:
bonds (distance) C4'-P energy: -57.956
bonds (distance) P-C4' energy: -59.092
flat angles C4'-P-C4' energy: -60.891
flat angles P-C4'-P energy: -43.820
tors. eta vs tors. theta energy: -64.403
Dist. restrs. and SS energy: 4.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -931.671292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.671292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.630437 (E_RNA)
where:
Base-Base interactions energy: -660.668
where: short stacking energy: -268.178
Base-Backbone interact. energy: 1.042
local terms energy: -274.004068
where:
bonds (distance) C4'-P energy: -54.885
bonds (distance) P-C4' energy: -50.931
flat angles C4'-P-C4' energy: -60.444
flat angles P-C4'-P energy: -38.024
tors. eta vs tors. theta energy: -69.720
Dist. restrs. and SS energy: 1.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -895.520056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.520056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.920954 (E_RNA)
where:
Base-Base interactions energy: -629.067
where: short stacking energy: -248.091
Base-Backbone interact. energy: -0.164
local terms energy: -271.689265
where:
bonds (distance) C4'-P energy: -54.535
bonds (distance) P-C4' energy: -70.695
flat angles C4'-P-C4' energy: -65.005
flat angles P-C4'-P energy: -35.376
tors. eta vs tors. theta energy: -46.078
Dist. restrs. and SS energy: 5.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1277.608299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.608299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.002928 (E_RNA)
where:
Base-Base interactions energy: -908.885
where: short stacking energy: -364.738
Base-Backbone interact. energy: -2.408
local terms energy: -369.710687
where:
bonds (distance) C4'-P energy: -67.156
bonds (distance) P-C4' energy: -65.020
flat angles C4'-P-C4' energy: -79.697
flat angles P-C4'-P energy: -56.177
tors. eta vs tors. theta energy: -101.660
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: 2, replica: 2
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1209.928138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.928138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.116415 (E_RNA)
where:
Base-Base interactions energy: -836.463
where: short stacking energy: -348.209
Base-Backbone interact. energy: -2.521
local terms energy: -376.132356
where:
bonds (distance) C4'-P energy: -67.797
bonds (distance) P-C4' energy: -68.218
flat angles C4'-P-C4' energy: -81.926
flat angles P-C4'-P energy: -52.788
tors. eta vs tors. theta energy: -105.404
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: 6
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1167.647134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.647134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.729615 (E_RNA)
where:
Base-Base interactions energy: -806.970
where: short stacking energy: -342.530
Base-Backbone interact. energy: 1.418
local terms energy: -365.177767
where:
bonds (distance) C4'-P energy: -64.351
bonds (distance) P-C4' energy: -59.587
flat angles C4'-P-C4' energy: -81.595
flat angles P-C4'-P energy: -56.761
tors. eta vs tors. theta energy: -102.884
Dist. restrs. and SS energy: 3.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1149.631158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.631158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.158688 (E_RNA)
where:
Base-Base interactions energy: -790.155
where: short stacking energy: -322.651
Base-Backbone interact. energy: -2.542
local terms energy: -361.462137
where:
bonds (distance) C4'-P energy: -68.502
bonds (distance) P-C4' energy: -66.932
flat angles C4'-P-C4' energy: -76.572
flat angles P-C4'-P energy: -57.955
tors. eta vs tors. theta energy: -91.502
Dist. restrs. and SS energy: 4.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1031.978445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.978445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.065768 (E_RNA)
where:
Base-Base interactions energy: -704.856
where: short stacking energy: -306.055
Base-Backbone interact. energy: -2.190
local terms energy: -332.019720
where:
bonds (distance) C4'-P energy: -64.242
bonds (distance) P-C4' energy: -67.877
flat angles C4'-P-C4' energy: -65.351
flat angles P-C4'-P energy: -54.184
tors. eta vs tors. theta energy: -80.366
Dist. restrs. and SS energy: 7.087 (S_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: 379
Temperature: 1.150000
Total energy: -994.615921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.615921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.581948 (E_RNA)
where:
Base-Base interactions energy: -664.554
where: short stacking energy: -279.911
Base-Backbone interact. energy: -2.926
local terms energy: -331.102391
where:
bonds (distance) C4'-P energy: -70.127
bonds (distance) P-C4' energy: -62.739
flat angles C4'-P-C4' energy: -72.256
flat angles P-C4'-P energy: -46.624
tors. eta vs tors. theta energy: -79.356
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: 3
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -986.155829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.155829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.314494 (E_RNA)
where:
Base-Base interactions energy: -701.050
where: short stacking energy: -280.228
Base-Backbone interact. energy: -1.262
local terms energy: -291.002583
where:
bonds (distance) C4'-P energy: -40.776
bonds (distance) P-C4' energy: -68.916
flat angles C4'-P-C4' energy: -73.294
flat angles P-C4'-P energy: -34.552
tors. eta vs tors. theta energy: -73.464
Dist. restrs. and SS energy: 7.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -946.116068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.116068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.990713 (E_RNA)
where:
Base-Base interactions energy: -643.736
where: short stacking energy: -249.279
Base-Backbone interact. energy: -1.517
local terms energy: -301.738498
where:
bonds (distance) C4'-P energy: -66.668
bonds (distance) P-C4' energy: -67.409
flat angles C4'-P-C4' energy: -72.753
flat angles P-C4'-P energy: -31.137
tors. eta vs tors. theta energy: -63.772
Dist. restrs. and SS energy: 0.875 (S_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: 379
Temperature: 1.300000
Total energy: -904.213524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.213524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.135643 (E_RNA)
where:
Base-Base interactions energy: -627.986
where: short stacking energy: -256.554
Base-Backbone interact. energy: -0.039
local terms energy: -283.110762
where:
bonds (distance) C4'-P energy: -48.491
bonds (distance) P-C4' energy: -64.146
flat angles C4'-P-C4' energy: -61.545
flat angles P-C4'-P energy: -41.344
tors. eta vs tors. theta energy: -67.585
Dist. restrs. and SS energy: 6.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -887.620705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.620705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.419631 (E_RNA)
where:
Base-Base interactions energy: -619.036
where: short stacking energy: -247.419
Base-Backbone interact. energy: 1.331
local terms energy: -276.714711
where:
bonds (distance) C4'-P energy: -64.364
bonds (distance) P-C4' energy: -57.974
flat angles C4'-P-C4' energy: -54.878
flat angles P-C4'-P energy: -39.166
tors. eta vs tors. theta energy: -60.333
Dist. restrs. and SS energy: 6.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1286.869440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.869440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.239659 (E_RNA)
where:
Base-Base interactions energy: -923.377
where: short stacking energy: -373.961
Base-Backbone interact. energy: 0.061
local terms energy: -364.924066
where:
bonds (distance) C4'-P energy: -61.473
bonds (distance) P-C4' energy: -60.893
flat angles C4'-P-C4' energy: -84.350
flat angles P-C4'-P energy: -54.054
tors. eta vs tors. theta energy: -104.155
Dist. restrs. and SS energy: 1.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1210.255344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.255344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.523903 (E_RNA)
where:
Base-Base interactions energy: -838.001
where: short stacking energy: -344.720
Base-Backbone interact. energy: 1.728
local terms energy: -380.251364
where:
bonds (distance) C4'-P energy: -68.064
bonds (distance) P-C4' energy: -65.054
flat angles C4'-P-C4' energy: -89.742
flat angles P-C4'-P energy: -53.482
tors. eta vs tors. theta energy: -103.909
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: 3, replica: 6
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1183.682220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.682220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.018522 (E_RNA)
where:
Base-Base interactions energy: -823.261
where: short stacking energy: -347.001
Base-Backbone interact. energy: -2.445
local terms energy: -363.312121
where:
bonds (distance) C4'-P energy: -61.843
bonds (distance) P-C4' energy: -67.232
flat angles C4'-P-C4' energy: -77.236
flat angles P-C4'-P energy: -49.633
tors. eta vs tors. theta energy: -107.367
Dist. restrs. and SS energy: 5.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1113.155837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.155837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.319620 (E_RNA)
where:
Base-Base interactions energy: -773.306
where: short stacking energy: -316.812
Base-Backbone interact. energy: -4.113
local terms energy: -341.900624
where:
bonds (distance) C4'-P energy: -62.005
bonds (distance) P-C4' energy: -58.492
flat angles C4'-P-C4' energy: -69.314
flat angles P-C4'-P energy: -50.159
tors. eta vs tors. theta energy: -101.930
Dist. restrs. and SS energy: 6.164 (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: 8
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1026.517078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.517078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.367697 (E_RNA)
where:
Base-Base interactions energy: -707.658
where: short stacking energy: -287.687
Base-Backbone interact. energy: -0.574
local terms energy: -322.136047
where:
bonds (distance) C4'-P energy: -58.174
bonds (distance) P-C4' energy: -67.510
flat angles C4'-P-C4' energy: -67.943
flat angles P-C4'-P energy: -51.919
tors. eta vs tors. theta energy: -76.590
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: 6, replica: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -995.826855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.826855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.598284 (E_RNA)
where:
Base-Base interactions energy: -703.201
where: short stacking energy: -293.188
Base-Backbone interact. energy: -2.519
local terms energy: -294.878954
where:
bonds (distance) C4'-P energy: -64.221
bonds (distance) P-C4' energy: -54.602
flat angles C4'-P-C4' energy: -58.182
flat angles P-C4'-P energy: -42.426
tors. eta vs tors. theta energy: -75.447
Dist. restrs. and SS energy: 4.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -951.059469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.059469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.652643 (E_RNA)
where:
Base-Base interactions energy: -663.856
where: short stacking energy: -276.088
Base-Backbone interact. energy: 1.747
local terms energy: -292.543508
where:
bonds (distance) C4'-P energy: -53.393
bonds (distance) P-C4' energy: -61.373
flat angles C4'-P-C4' energy: -65.501
flat angles P-C4'-P energy: -41.849
tors. eta vs tors. theta energy: -70.426
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: 8, replica: 3
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -967.042848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.042848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.120150 (E_RNA)
where:
Base-Base interactions energy: -672.187
where: short stacking energy: -268.712
Base-Backbone interact. energy: -1.413
local terms energy: -299.521006
where:
bonds (distance) C4'-P energy: -61.549
bonds (distance) P-C4' energy: -59.531
flat angles C4'-P-C4' energy: -62.866
flat angles P-C4'-P energy: -37.012
tors. eta vs tors. theta energy: -78.562
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: 9, replica: 1
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -893.807678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.807678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.786820 (E_RNA)
where:
Base-Base interactions energy: -646.035
where: short stacking energy: -241.739
Base-Backbone interact. energy: 1.648
local terms energy: -251.398896
where:
bonds (distance) C4'-P energy: -47.636
bonds (distance) P-C4' energy: -56.882
flat angles C4'-P-C4' energy: -55.584
flat angles P-C4'-P energy: -34.233
tors. eta vs tors. theta energy: -57.064
Dist. restrs. and SS energy: 1.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -832.919146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.919146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.497578 (E_RNA)
where:
Base-Base interactions energy: -601.698
where: short stacking energy: -238.607
Base-Backbone interact. energy: -0.315
local terms energy: -232.485014
where:
bonds (distance) C4'-P energy: -39.348
bonds (distance) P-C4' energy: -40.032
flat angles C4'-P-C4' energy: -57.304
flat angles P-C4'-P energy: -33.534
tors. eta vs tors. theta energy: -62.266
Dist. restrs. and SS energy: 1.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1282.161358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.161358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.701197 (E_RNA)
where:
Base-Base interactions energy: -911.805
where: short stacking energy: -367.237
Base-Backbone interact. energy: -1.702
local terms energy: -372.194787
where:
bonds (distance) C4'-P energy: -66.138
bonds (distance) P-C4' energy: -68.566
flat angles C4'-P-C4' energy: -80.469
flat angles P-C4'-P energy: -48.473
tors. eta vs tors. theta energy: -108.549
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: 381
Temperature: 0.950000
Total energy: -1188.037256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.037256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.678671 (E_RNA)
where:
Base-Base interactions energy: -852.864
where: short stacking energy: -355.371
Base-Backbone interact. energy: -1.457
local terms energy: -339.358391
where:
bonds (distance) C4'-P energy: -61.367
bonds (distance) P-C4' energy: -57.430
flat angles C4'-P-C4' energy: -70.737
flat angles P-C4'-P energy: -51.067
tors. eta vs tors. theta energy: -98.758
Dist. restrs. and SS energy: 5.641 (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: 2
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1174.569749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.569749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.707641 (E_RNA)
where:
Base-Base interactions energy: -833.553
where: short stacking energy: -330.758
Base-Backbone interact. energy: -1.365
local terms energy: -342.789827
where:
bonds (distance) C4'-P energy: -62.728
bonds (distance) P-C4' energy: -52.649
flat angles C4'-P-C4' energy: -76.365
flat angles P-C4'-P energy: -61.359
tors. eta vs tors. theta energy: -89.688
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: 4, replica: 9
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1125.889184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.889184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.392928 (E_RNA)
where:
Base-Base interactions energy: -779.041
where: short stacking energy: -328.843
Base-Backbone interact. energy: 0.549
local terms energy: -351.901004
where:
bonds (distance) C4'-P energy: -63.599
bonds (distance) P-C4' energy: -57.616
flat angles C4'-P-C4' energy: -76.155
flat angles P-C4'-P energy: -56.315
tors. eta vs tors. theta energy: -98.216
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: 5, replica: 8
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1021.490825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.490825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.945572 (E_RNA)
where:
Base-Base interactions energy: -711.848
where: short stacking energy: -295.876
Base-Backbone interact. energy: -0.878
local terms energy: -311.219180
where:
bonds (distance) C4'-P energy: -60.154
bonds (distance) P-C4' energy: -64.437
flat angles C4'-P-C4' energy: -55.414
flat angles P-C4'-P energy: -50.071
tors. eta vs tors. theta energy: -81.143
Dist. restrs. and SS energy: 2.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1018.036180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.036180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.866051 (E_RNA)
where:
Base-Base interactions energy: -695.560
where: short stacking energy: -292.415
Base-Backbone interact. energy: -1.315
local terms energy: -322.990781
where:
bonds (distance) C4'-P energy: -68.862
bonds (distance) P-C4' energy: -74.327
flat angles C4'-P-C4' energy: -69.211
flat angles P-C4'-P energy: -32.089
tors. eta vs tors. theta energy: -78.502
Dist. restrs. and SS energy: 1.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -980.596428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.596428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.069334 (E_RNA)
where:
Base-Base interactions energy: -688.803
where: short stacking energy: -288.151
Base-Backbone interact. energy: -1.040
local terms energy: -298.226462
where:
bonds (distance) C4'-P energy: -44.589
bonds (distance) P-C4' energy: -58.917
flat angles C4'-P-C4' energy: -72.343
flat angles P-C4'-P energy: -47.889
tors. eta vs tors. theta energy: -74.488
Dist. restrs. and SS energy: 7.473 (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: 3
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -986.729390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.729390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.322681 (E_RNA)
where:
Base-Base interactions energy: -693.801
where: short stacking energy: -284.583
Base-Backbone interact. energy: -2.338
local terms energy: -293.183562
where:
bonds (distance) C4'-P energy: -56.550
bonds (distance) P-C4' energy: -53.206
flat angles C4'-P-C4' energy: -60.029
flat angles P-C4'-P energy: -43.014
tors. eta vs tors. theta energy: -80.384
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: 9, replica: 1
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -903.148809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.148809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.428846 (E_RNA)
where:
Base-Base interactions energy: -629.238
where: short stacking energy: -255.844
Base-Backbone interact. energy: -1.616
local terms energy: -276.574808
where:
bonds (distance) C4'-P energy: -53.294
bonds (distance) P-C4' energy: -49.535
flat angles C4'-P-C4' energy: -64.756
flat angles P-C4'-P energy: -43.415
tors. eta vs tors. theta energy: -65.574
Dist. restrs. and SS energy: 4.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -843.097899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.097899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.059469 (E_RNA)
where:
Base-Base interactions energy: -609.668
where: short stacking energy: -242.299
Base-Backbone interact. energy: -1.766
local terms energy: -237.625313
where:
bonds (distance) C4'-P energy: -55.990
bonds (distance) P-C4' energy: -61.353
flat angles C4'-P-C4' energy: -47.363
flat angles P-C4'-P energy: -25.833
tors. eta vs tors. theta energy: -47.086
Dist. restrs. and SS energy: 5.962 (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: 4
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1262.329426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.329426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.641791 (E_RNA)
where:
Base-Base interactions energy: -886.575
where: short stacking energy: -355.059
Base-Backbone interact. energy: -3.221
local terms energy: -376.845509
where:
bonds (distance) C4'-P energy: -63.943
bonds (distance) P-C4' energy: -66.313
flat angles C4'-P-C4' energy: -79.032
flat angles P-C4'-P energy: -59.546
tors. eta vs tors. theta energy: -108.012
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: 2, replica: 6
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1213.777238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.777238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.684869 (E_RNA)
where:
Base-Base interactions energy: -847.292
where: short stacking energy: -348.799
Base-Backbone interact. energy: -0.758
local terms energy: -369.634996
where:
bonds (distance) C4'-P energy: -67.182
bonds (distance) P-C4' energy: -60.328
flat angles C4'-P-C4' energy: -81.849
flat angles P-C4'-P energy: -63.582
tors. eta vs tors. theta energy: -96.694
Dist. restrs. and SS energy: 3.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1184.315944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.315944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.011023 (E_RNA)
where:
Base-Base interactions energy: -838.506
where: short stacking energy: -358.388
Base-Backbone interact. energy: 2.390
local terms energy: -352.894938
where:
bonds (distance) C4'-P energy: -58.170
bonds (distance) P-C4' energy: -69.007
flat angles C4'-P-C4' energy: -74.996
flat angles P-C4'-P energy: -50.814
tors. eta vs tors. theta energy: -99.907
Dist. restrs. and SS energy: 4.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1147.283535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.283535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.180068 (E_RNA)
where:
Base-Base interactions energy: -830.620
where: short stacking energy: -332.607
Base-Backbone interact. energy: -1.198
local terms energy: -318.362250
where:
bonds (distance) C4'-P energy: -49.816
bonds (distance) P-C4' energy: -66.296
flat angles C4'-P-C4' energy: -66.193
flat angles P-C4'-P energy: -49.396
tors. eta vs tors. theta energy: -86.661
Dist. restrs. and SS energy: 2.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1055.071665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.071665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.227204 (E_RNA)
where:
Base-Base interactions energy: -741.060
where: short stacking energy: -310.110
Base-Backbone interact. energy: 0.060
local terms energy: -315.227336
where:
bonds (distance) C4'-P energy: -45.053
bonds (distance) P-C4' energy: -71.765
flat angles C4'-P-C4' energy: -70.715
flat angles P-C4'-P energy: -43.988
tors. eta vs tors. theta energy: -83.706
Dist. restrs. and SS energy: 1.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1018.573157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.573157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.532267 (E_RNA)
where:
Base-Base interactions energy: -691.888
where: short stacking energy: -289.484
Base-Backbone interact. energy: -2.116
local terms energy: -326.528431
where:
bonds (distance) C4'-P energy: -65.131
bonds (distance) P-C4' energy: -65.671
flat angles C4'-P-C4' energy: -69.786
flat angles P-C4'-P energy: -52.719
tors. eta vs tors. theta energy: -73.222
Dist. restrs. and SS energy: 1.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -979.107795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.107795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.992302 (E_RNA)
where:
Base-Base interactions energy: -668.384
where: short stacking energy: -259.543
Base-Backbone interact. energy: -2.218
local terms energy: -312.390047
where:
bonds (distance) C4'-P energy: -57.459
bonds (distance) P-C4' energy: -60.810
flat angles C4'-P-C4' energy: -76.182
flat angles P-C4'-P energy: -46.094
tors. eta vs tors. theta energy: -71.846
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: 8, replica: 3
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -943.143946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.143946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.350998 (E_RNA)
where:
Base-Base interactions energy: -665.114
where: short stacking energy: -270.056
Base-Backbone interact. energy: -1.621
local terms energy: -284.615471
where:
bonds (distance) C4'-P energy: -58.500
bonds (distance) P-C4' energy: -54.607
flat angles C4'-P-C4' energy: -62.354
flat angles P-C4'-P energy: -46.909
tors. eta vs tors. theta energy: -62.245
Dist. restrs. and SS energy: 8.207 (S_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: 382
Temperature: 1.300000
Total energy: -915.091089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.091089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.239548 (E_RNA)
where:
Base-Base interactions energy: -646.362
where: short stacking energy: -256.303
Base-Backbone interact. energy: -1.845
local terms energy: -271.032629
where:
bonds (distance) C4'-P energy: -63.307
bonds (distance) P-C4' energy: -48.141
flat angles C4'-P-C4' energy: -63.173
flat angles P-C4'-P energy: -37.509
tors. eta vs tors. theta energy: -58.904
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: 10, replica: 5
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -822.297492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.297492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.282775 (E_RNA)
where:
Base-Base interactions energy: -562.732
where: short stacking energy: -189.976
Base-Backbone interact. energy: 0.906
local terms energy: -264.457027
where:
bonds (distance) C4'-P energy: -56.876
bonds (distance) P-C4' energy: -63.222
flat angles C4'-P-C4' energy: -60.665
flat angles P-C4'-P energy: -39.943
tors. eta vs tors. theta energy: -43.750
Dist. restrs. and SS energy: 3.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1283.567627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.567627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.949281 (E_RNA)
where:
Base-Base interactions energy: -908.387
where: short stacking energy: -384.549
Base-Backbone interact. energy: 3.047
local terms energy: -381.608839
where:
bonds (distance) C4'-P energy: -55.496
bonds (distance) P-C4' energy: -78.506
flat angles C4'-P-C4' energy: -87.395
flat angles P-C4'-P energy: -49.359
tors. eta vs tors. theta energy: -110.852
Dist. restrs. and SS energy: 3.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1201.594040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.594040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.194500 (E_RNA)
where:
Base-Base interactions energy: -825.088
where: short stacking energy: -352.853
Base-Backbone interact. energy: -0.545
local terms energy: -379.561097
where:
bonds (distance) C4'-P energy: -74.755
bonds (distance) P-C4' energy: -68.086
flat angles C4'-P-C4' energy: -76.561
flat angles P-C4'-P energy: -55.991
tors. eta vs tors. theta energy: -104.168
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: 3, replica: 9
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1179.443251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.443251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.713792 (E_RNA)
where:
Base-Base interactions energy: -823.266
where: short stacking energy: -328.475
Base-Backbone interact. energy: 1.231
local terms energy: -361.678775
where:
bonds (distance) C4'-P energy: -67.174
bonds (distance) P-C4' energy: -76.243
flat angles C4'-P-C4' energy: -75.507
flat angles P-C4'-P energy: -51.583
tors. eta vs tors. theta energy: -91.171
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: 4, replica: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1153.833086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.833086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.249386 (E_RNA)
where:
Base-Base interactions energy: -820.233
where: short stacking energy: -335.292
Base-Backbone interact. energy: 1.001
local terms energy: -339.016992
where:
bonds (distance) C4'-P energy: -60.653
bonds (distance) P-C4' energy: -70.897
flat angles C4'-P-C4' energy: -59.891
flat angles P-C4'-P energy: -51.854
tors. eta vs tors. theta energy: -95.722
Dist. restrs. and SS energy: 4.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1053.485003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.485003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.933085 (E_RNA)
where:
Base-Base interactions energy: -734.754
where: short stacking energy: -296.156
Base-Backbone interact. energy: -1.512
local terms energy: -318.667229
where:
bonds (distance) C4'-P energy: -55.223
bonds (distance) P-C4' energy: -54.055
flat angles C4'-P-C4' energy: -74.834
flat angles P-C4'-P energy: -50.381
tors. eta vs tors. theta energy: -84.174
Dist. restrs. and SS energy: 1.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1017.184217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.184217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.185541 (E_RNA)
where:
Base-Base interactions energy: -708.443
where: short stacking energy: -278.135
Base-Backbone interact. energy: -1.545
local terms energy: -308.197978
where:
bonds (distance) C4'-P energy: -59.038
bonds (distance) P-C4' energy: -64.147
flat angles C4'-P-C4' energy: -57.704
flat angles P-C4'-P energy: -52.742
tors. eta vs tors. theta energy: -74.567
Dist. restrs. and SS energy: 1.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1000.772078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.772078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.249334 (E_RNA)
where:
Base-Base interactions energy: -689.763
where: short stacking energy: -298.077
Base-Backbone interact. energy: -1.302
local terms energy: -316.184089
where:
bonds (distance) C4'-P energy: -56.266
bonds (distance) P-C4' energy: -58.171
flat angles C4'-P-C4' energy: -67.434
flat angles P-C4'-P energy: -51.079
tors. eta vs tors. theta energy: -83.234
Dist. restrs. and SS energy: 6.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -906.374802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.374802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.019203 (E_RNA)
where:
Base-Base interactions energy: -633.826
where: short stacking energy: -255.017
Base-Backbone interact. energy: 1.876
local terms energy: -278.069139
where:
bonds (distance) C4'-P energy: -60.465
bonds (distance) P-C4' energy: -47.947
flat angles C4'-P-C4' energy: -62.672
flat angles P-C4'-P energy: -41.971
tors. eta vs tors. theta energy: -65.014
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: 9, replica: 3
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -908.461130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.461130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.032000 (E_RNA)
where:
Base-Base interactions energy: -627.437
where: short stacking energy: -233.424
Base-Backbone interact. energy: 0.044
local terms energy: -285.638817
where:
bonds (distance) C4'-P energy: -61.945
bonds (distance) P-C4' energy: -67.917
flat angles C4'-P-C4' energy: -58.543
flat angles P-C4'-P energy: -35.375
tors. eta vs tors. theta energy: -61.858
Dist. restrs. and SS energy: 4.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -810.029921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.029921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.024974 (E_RNA)
where:
Base-Base interactions energy: -573.549
where: short stacking energy: -211.799
Base-Backbone interact. energy: 1.451
local terms energy: -242.926482
where:
bonds (distance) C4'-P energy: -57.174
bonds (distance) P-C4' energy: -63.564
flat angles C4'-P-C4' energy: -50.858
flat angles P-C4'-P energy: -29.564
tors. eta vs tors. theta energy: -41.767
Dist. restrs. and SS energy: 4.995 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1253.348082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.348082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.386621 (E_RNA)
where:
Base-Base interactions energy: -877.188
where: short stacking energy: -366.021
Base-Backbone interact. energy: -2.677
local terms energy: -376.521554
where:
bonds (distance) C4'-P energy: -71.008
bonds (distance) P-C4' energy: -67.834
flat angles C4'-P-C4' energy: -83.619
flat angles P-C4'-P energy: -48.193
tors. eta vs tors. theta energy: -105.868
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: 2, replica: 6
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1199.449173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.449173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.940820 (E_RNA)
where:
Base-Base interactions energy: -845.846
where: short stacking energy: -324.855
Base-Backbone interact. energy: -1.767
local terms energy: -356.328168
where:
bonds (distance) C4'-P energy: -76.723
bonds (distance) P-C4' energy: -65.267
flat angles C4'-P-C4' energy: -78.292
flat angles P-C4'-P energy: -40.062
tors. eta vs tors. theta energy: -95.984
Dist. restrs. and SS energy: 4.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1162.249374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.249374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.452297 (E_RNA)
where:
Base-Base interactions energy: -804.130
where: short stacking energy: -337.134
Base-Backbone interact. energy: -2.530
local terms energy: -358.792584
where:
bonds (distance) C4'-P energy: -74.130
bonds (distance) P-C4' energy: -55.733
flat angles C4'-P-C4' energy: -74.780
flat angles P-C4'-P energy: -57.885
tors. eta vs tors. theta energy: -96.265
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: 4, replica: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1147.362814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.362814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.618541 (E_RNA)
where:
Base-Base interactions energy: -801.880
where: short stacking energy: -330.589
Base-Backbone interact. energy: -1.118
local terms energy: -347.620259
where:
bonds (distance) C4'-P energy: -60.745
bonds (distance) P-C4' energy: -71.038
flat angles C4'-P-C4' energy: -81.605
flat angles P-C4'-P energy: -45.466
tors. eta vs tors. theta energy: -88.766
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: 5, replica: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1052.494490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.494490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.136829 (E_RNA)
where:
Base-Base interactions energy: -724.103
where: short stacking energy: -286.739
Base-Backbone interact. energy: -1.697
local terms energy: -328.336874
where:
bonds (distance) C4'-P energy: -63.094
bonds (distance) P-C4' energy: -59.604
flat angles C4'-P-C4' energy: -67.946
flat angles P-C4'-P energy: -58.569
tors. eta vs tors. theta energy: -79.124
Dist. restrs. and SS energy: 1.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1014.050641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.050641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.547339 (E_RNA)
where:
Base-Base interactions energy: -718.796
where: short stacking energy: -292.107
Base-Backbone interact. energy: -1.865
local terms energy: -293.885931
where:
bonds (distance) C4'-P energy: -59.043
bonds (distance) P-C4' energy: -48.108
flat angles C4'-P-C4' energy: -70.880
flat angles P-C4'-P energy: -47.116
tors. eta vs tors. theta energy: -68.738
Dist. restrs. and SS energy: 0.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -960.595671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.595671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.714790 (E_RNA)
where:
Base-Base interactions energy: -650.997
where: short stacking energy: -251.307
Base-Backbone interact. energy: -3.240
local terms energy: -310.477438
where:
bonds (distance) C4'-P energy: -72.024
bonds (distance) P-C4' energy: -54.635
flat angles C4'-P-C4' energy: -71.107
flat angles P-C4'-P energy: -50.935
tors. eta vs tors. theta energy: -61.776
Dist. restrs. and SS energy: 4.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -926.109206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.109206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.389841 (E_RNA)
where:
Base-Base interactions energy: -651.230
where: short stacking energy: -258.120
Base-Backbone interact. energy: 2.141
local terms energy: -281.300824
where:
bonds (distance) C4'-P energy: -48.334
bonds (distance) P-C4' energy: -54.072
flat angles C4'-P-C4' energy: -68.255
flat angles P-C4'-P energy: -45.038
tors. eta vs tors. theta energy: -65.603
Dist. restrs. and SS energy: 4.281 (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: 384
Temperature: 1.300000
Total energy: -892.859023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.859023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.869476 (E_RNA)
where:
Base-Base interactions energy: -635.543
where: short stacking energy: -245.039
Base-Backbone interact. energy: 0.328
local terms energy: -265.653491
where:
bonds (distance) C4'-P energy: -61.979
bonds (distance) P-C4' energy: -62.219
flat angles C4'-P-C4' energy: -51.132
flat angles P-C4'-P energy: -31.420
tors. eta vs tors. theta energy: -58.902
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: 10, replica: 5
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -826.685783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.685783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.840080 (E_RNA)
where:
Base-Base interactions energy: -592.478
where: short stacking energy: -225.930
Base-Backbone interact. energy: 0.639
local terms energy: -238.001446
where:
bonds (distance) C4'-P energy: -47.731
bonds (distance) P-C4' energy: -60.447
flat angles C4'-P-C4' energy: -52.770
flat angles P-C4'-P energy: -31.239
tors. eta vs tors. theta energy: -45.814
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: 1, replica: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1245.146003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.146003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.164946 (E_RNA)
where:
Base-Base interactions energy: -866.897
where: short stacking energy: -364.715
Base-Backbone interact. energy: -2.163
local terms energy: -381.104872
where:
bonds (distance) C4'-P energy: -72.256
bonds (distance) P-C4' energy: -64.853
flat angles C4'-P-C4' energy: -82.030
flat angles P-C4'-P energy: -56.924
tors. eta vs tors. theta energy: -105.041
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: 2, replica: 6
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1199.313719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.313719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.249153 (E_RNA)
where:
Base-Base interactions energy: -827.237
where: short stacking energy: -338.311
Base-Backbone interact. energy: -1.266
local terms energy: -372.747014
where:
bonds (distance) C4'-P energy: -72.944
bonds (distance) P-C4' energy: -77.655
flat angles C4'-P-C4' energy: -73.851
flat angles P-C4'-P energy: -47.843
tors. eta vs tors. theta energy: -100.453
Dist. restrs. and SS energy: 1.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1162.570179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.570179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.910956 (E_RNA)
where:
Base-Base interactions energy: -809.501
where: short stacking energy: -350.634
Base-Backbone interact. energy: -1.307
local terms energy: -355.102343
where:
bonds (distance) C4'-P energy: -67.034
bonds (distance) P-C4' energy: -65.538
flat angles C4'-P-C4' energy: -74.717
flat angles P-C4'-P energy: -53.604
tors. eta vs tors. theta energy: -94.209
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: 4, replica: 2
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1144.381100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.381100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.411077 (E_RNA)
where:
Base-Base interactions energy: -812.628
where: short stacking energy: -338.705
Base-Backbone interact. energy: -0.046
local terms energy: -335.737054
where:
bonds (distance) C4'-P energy: -56.408
bonds (distance) P-C4' energy: -60.584
flat angles C4'-P-C4' energy: -69.470
flat angles P-C4'-P energy: -54.915
tors. eta vs tors. theta energy: -94.360
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: 5, replica: 8
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1068.671473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.671473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.491050 (E_RNA)
where:
Base-Base interactions energy: -753.034
where: short stacking energy: -318.717
Base-Backbone interact. energy: -1.908
local terms energy: -318.549373
where:
bonds (distance) C4'-P energy: -61.830
bonds (distance) P-C4' energy: -58.544
flat angles C4'-P-C4' energy: -73.984
flat angles P-C4'-P energy: -41.404
tors. eta vs tors. theta energy: -82.787
Dist. restrs. and SS energy: 4.820 (S_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: 385
Temperature: 1.150000
Total energy: -1023.605765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.605765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.796038 (E_RNA)
where:
Base-Base interactions energy: -713.272
where: short stacking energy: -288.388
Base-Backbone interact. energy: 2.785
local terms energy: -314.308913
where:
bonds (distance) C4'-P energy: -65.595
bonds (distance) P-C4' energy: -71.241
flat angles C4'-P-C4' energy: -67.612
flat angles P-C4'-P energy: -38.349
tors. eta vs tors. theta energy: -71.511
Dist. restrs. and SS energy: 1.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -959.834867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.834867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.489432 (E_RNA)
where:
Base-Base interactions energy: -661.895
where: short stacking energy: -266.646
Base-Backbone interact. energy: -1.168
local terms energy: -299.427252
where:
bonds (distance) C4'-P energy: -64.494
bonds (distance) P-C4' energy: -57.243
flat angles C4'-P-C4' energy: -69.831
flat angles P-C4'-P energy: -39.961
tors. eta vs tors. theta energy: -67.898
Dist. restrs. and SS energy: 2.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -968.821652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.821652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.169497 (E_RNA)
where:
Base-Base interactions energy: -681.588
where: short stacking energy: -265.850
Base-Backbone interact. energy: 0.044
local terms energy: -290.625868
where:
bonds (distance) C4'-P energy: -52.818
bonds (distance) P-C4' energy: -53.725
flat angles C4'-P-C4' energy: -69.873
flat angles P-C4'-P energy: -47.152
tors. eta vs tors. theta energy: -67.058
Dist. restrs. and SS energy: 3.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -927.896787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.896787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.593924 (E_RNA)
where:
Base-Base interactions energy: -672.455
where: short stacking energy: -255.472
Base-Backbone interact. energy: -1.492
local terms energy: -261.647039
where:
bonds (distance) C4'-P energy: -52.134
bonds (distance) P-C4' energy: -49.517
flat angles C4'-P-C4' energy: -62.848
flat angles P-C4'-P energy: -38.780
tors. eta vs tors. theta energy: -58.368
Dist. restrs. and SS energy: 7.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -850.132354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.132354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.377031 (E_RNA)
where:
Base-Base interactions energy: -610.492
where: short stacking energy: -236.636
Base-Backbone interact. energy: -0.126
local terms energy: -251.759744
where:
bonds (distance) C4'-P energy: -49.005
bonds (distance) P-C4' energy: -64.748
flat angles C4'-P-C4' energy: -53.371
flat angles P-C4'-P energy: -27.765
tors. eta vs tors. theta energy: -56.870
Dist. restrs. and SS energy: 12.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1244.734034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.734034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.450130 (E_RNA)
where:
Base-Base interactions energy: -873.940
where: short stacking energy: -356.096
Base-Backbone interact. energy: -1.490
local terms energy: -372.020656
where:
bonds (distance) C4'-P energy: -70.260
bonds (distance) P-C4' energy: -69.397
flat angles C4'-P-C4' energy: -76.997
flat angles P-C4'-P energy: -52.538
tors. eta vs tors. theta energy: -102.829
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: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1233.418551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.418551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.809868 (E_RNA)
where:
Base-Base interactions energy: -853.631
where: short stacking energy: -349.481
Base-Backbone interact. energy: -3.454
local terms energy: -379.724412
where:
bonds (distance) C4'-P energy: -64.814
bonds (distance) P-C4' energy: -72.490
flat angles C4'-P-C4' energy: -81.933
flat angles P-C4'-P energy: -63.551
tors. eta vs tors. theta energy: -96.936
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: 9
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1209.355435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.355435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.173004 (E_RNA)
where:
Base-Base interactions energy: -845.008
where: short stacking energy: -354.275
Base-Backbone interact. energy: -3.432
local terms energy: -363.733639
where:
bonds (distance) C4'-P energy: -65.285
bonds (distance) P-C4' energy: -72.192
flat angles C4'-P-C4' energy: -68.503
flat angles P-C4'-P energy: -55.535
tors. eta vs tors. theta energy: -102.218
Dist. restrs. and SS energy: 2.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1117.130547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.130547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.219170 (E_RNA)
where:
Base-Base interactions energy: -782.828
where: short stacking energy: -318.863
Base-Backbone interact. energy: -2.376
local terms energy: -335.015454
where:
bonds (distance) C4'-P energy: -65.123
bonds (distance) P-C4' energy: -65.480
flat angles C4'-P-C4' energy: -77.884
flat angles P-C4'-P energy: -51.648
tors. eta vs tors. theta energy: -74.880
Dist. restrs. and SS energy: 3.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1008.247585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.247585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.523851 (E_RNA)
where:
Base-Base interactions energy: -687.490
where: short stacking energy: -273.431
Base-Backbone interact. energy: 0.541
local terms energy: -324.574615
where:
bonds (distance) C4'-P energy: -71.444
bonds (distance) P-C4' energy: -68.307
flat angles C4'-P-C4' energy: -67.694
flat angles P-C4'-P energy: -47.565
tors. eta vs tors. theta energy: -69.565
Dist. restrs. and SS energy: 3.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1055.912031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.912031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.480921 (E_RNA)
where:
Base-Base interactions energy: -725.039
where: short stacking energy: -292.174
Base-Backbone interact. energy: -1.741
local terms energy: -334.701296
where:
bonds (distance) C4'-P energy: -68.608
bonds (distance) P-C4' energy: -63.743
flat angles C4'-P-C4' energy: -61.828
flat angles P-C4'-P energy: -54.100
tors. eta vs tors. theta energy: -86.423
Dist. restrs. and SS energy: 5.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -982.392425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.392425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.947636 (E_RNA)
where:
Base-Base interactions energy: -714.704
where: short stacking energy: -272.024
Base-Backbone interact. energy: -1.421
local terms energy: -267.822092
where:
bonds (distance) C4'-P energy: -52.719
bonds (distance) P-C4' energy: -47.932
flat angles C4'-P-C4' energy: -65.648
flat angles P-C4'-P energy: -41.320
tors. eta vs tors. theta energy: -60.203
Dist. restrs. and SS energy: 1.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -969.489147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.489147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.168856 (E_RNA)
where:
Base-Base interactions energy: -699.895
where: short stacking energy: -270.952
Base-Backbone interact. energy: 2.060
local terms energy: -275.333854
where:
bonds (distance) C4'-P energy: -49.155
bonds (distance) P-C4' energy: -61.487
flat angles C4'-P-C4' energy: -55.195
flat angles P-C4'-P energy: -44.579
tors. eta vs tors. theta energy: -64.918
Dist. restrs. and SS energy: 3.680 (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: 1
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -933.334851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.334851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.870112 (E_RNA)
where:
Base-Base interactions energy: -664.060
where: short stacking energy: -264.879
Base-Backbone interact. energy: 0.549
local terms energy: -275.359242
where:
bonds (distance) C4'-P energy: -65.760
bonds (distance) P-C4' energy: -53.443
flat angles C4'-P-C4' energy: -54.645
flat angles P-C4'-P energy: -42.044
tors. eta vs tors. theta energy: -59.468
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: 10, replica: 5
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -785.695822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.695822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.233508 (E_RNA)
where:
Base-Base interactions energy: -563.332
where: short stacking energy: -219.931
Base-Backbone interact. energy: 0.989
local terms energy: -234.889900
where:
bonds (distance) C4'-P energy: -49.966
bonds (distance) P-C4' energy: -52.935
flat angles C4'-P-C4' energy: -56.941
flat angles P-C4'-P energy: -28.957
tors. eta vs tors. theta energy: -46.091
Dist. restrs. and SS energy: 11.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1246.464793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.464793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.083680 (E_RNA)
where:
Base-Base interactions energy: -874.843
where: short stacking energy: -353.228
Base-Backbone interact. energy: -2.186
local terms energy: -373.054077
where:
bonds (distance) C4'-P energy: -74.349
bonds (distance) P-C4' energy: -67.462
flat angles C4'-P-C4' energy: -79.635
flat angles P-C4'-P energy: -54.072
tors. eta vs tors. theta energy: -97.536
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: 2, replica: 6
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1205.232939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.232939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.700576 (E_RNA)
where:
Base-Base interactions energy: -846.344
where: short stacking energy: -344.955
Base-Backbone interact. energy: -4.191
local terms energy: -359.166148
where:
bonds (distance) C4'-P energy: -66.652
bonds (distance) P-C4' energy: -69.149
flat angles C4'-P-C4' energy: -79.574
flat angles P-C4'-P energy: -42.219
tors. eta vs tors. theta energy: -101.572
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: 9
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1164.634102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.634102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.158984 (E_RNA)
where:
Base-Base interactions energy: -797.336
where: short stacking energy: -336.126
Base-Backbone interact. energy: -3.372
local terms energy: -367.450728
where:
bonds (distance) C4'-P energy: -70.781
bonds (distance) P-C4' energy: -74.643
flat angles C4'-P-C4' energy: -75.815
flat angles P-C4'-P energy: -46.536
tors. eta vs tors. theta energy: -99.676
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: 2
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1105.865153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.865153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.746559 (E_RNA)
where:
Base-Base interactions energy: -771.554
where: short stacking energy: -314.342
Base-Backbone interact. energy: -0.914
local terms energy: -337.278838
where:
bonds (distance) C4'-P energy: -56.796
bonds (distance) P-C4' energy: -69.614
flat angles C4'-P-C4' energy: -63.462
flat angles P-C4'-P energy: -51.055
tors. eta vs tors. theta energy: -96.352
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: 5, replica: 10
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1025.896073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.896073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.125684 (E_RNA)
where:
Base-Base interactions energy: -713.692
where: short stacking energy: -318.978
Base-Backbone interact. energy: -0.118
local terms energy: -313.315965
where:
bonds (distance) C4'-P energy: -54.190
bonds (distance) P-C4' energy: -58.055
flat angles C4'-P-C4' energy: -75.091
flat angles P-C4'-P energy: -47.573
tors. eta vs tors. theta energy: -78.407
Dist. restrs. and SS energy: 1.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1011.706677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.706677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.720245 (E_RNA)
where:
Base-Base interactions energy: -701.987
where: short stacking energy: -292.624
Base-Backbone interact. energy: -2.494
local terms energy: -309.239473
where:
bonds (distance) C4'-P energy: -57.144
bonds (distance) P-C4' energy: -64.552
flat angles C4'-P-C4' energy: -67.583
flat angles P-C4'-P energy: -50.070
tors. eta vs tors. theta energy: -69.890
Dist. restrs. and SS energy: 2.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -987.827297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.827297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.626239 (E_RNA)
where:
Base-Base interactions energy: -705.680
where: short stacking energy: -292.145
Base-Backbone interact. energy: 0.251
local terms energy: -289.196925
where:
bonds (distance) C4'-P energy: -59.272
bonds (distance) P-C4' energy: -57.078
flat angles C4'-P-C4' energy: -54.599
flat angles P-C4'-P energy: -37.933
tors. eta vs tors. theta energy: -80.314
Dist. restrs. and SS energy: 6.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -929.740739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.740739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.049822 (E_RNA)
where:
Base-Base interactions energy: -648.537
where: short stacking energy: -250.145
Base-Backbone interact. energy: -0.352
local terms energy: -287.160376
where:
bonds (distance) C4'-P energy: -56.897
bonds (distance) P-C4' energy: -60.784
flat angles C4'-P-C4' energy: -62.249
flat angles P-C4'-P energy: -38.309
tors. eta vs tors. theta energy: -68.920
Dist. restrs. and SS energy: 6.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -926.421081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.421081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.201368 (E_RNA)
where:
Base-Base interactions energy: -672.846
where: short stacking energy: -283.050
Base-Backbone interact. energy: 6.884
local terms energy: -265.238470
where:
bonds (distance) C4'-P energy: -54.838
bonds (distance) P-C4' energy: -60.182
flat angles C4'-P-C4' energy: -57.843
flat angles P-C4'-P energy: -33.230
tors. eta vs tors. theta energy: -59.145
Dist. restrs. and SS energy: 4.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -803.257230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.257230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.170692 (E_RNA)
where:
Base-Base interactions energy: -570.911
where: short stacking energy: -222.378
Base-Backbone interact. energy: 10.094
local terms energy: -252.353380
where:
bonds (distance) C4'-P energy: -58.092
bonds (distance) P-C4' energy: -50.782
flat angles C4'-P-C4' energy: -58.443
flat angles P-C4'-P energy: -32.435
tors. eta vs tors. theta energy: -52.601
Dist. restrs. and SS energy: 9.913 (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: 4
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1262.627920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.627920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.397053 (E_RNA)
where:
Base-Base interactions energy: -875.670
where: short stacking energy: -362.783
Base-Backbone interact. energy: 0.213
local terms energy: -389.939631
where:
bonds (distance) C4'-P energy: -78.408
bonds (distance) P-C4' energy: -71.710
flat angles C4'-P-C4' energy: -80.786
flat angles P-C4'-P energy: -54.370
tors. eta vs tors. theta energy: -104.666
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: 388
Temperature: 0.950000
Total energy: -1213.542821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.542821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.923232 (E_RNA)
where:
Base-Base interactions energy: -836.826
where: short stacking energy: -348.412
Base-Backbone interact. energy: -1.257
local terms energy: -379.840060
where:
bonds (distance) C4'-P energy: -70.896
bonds (distance) P-C4' energy: -79.370
flat angles C4'-P-C4' energy: -78.949
flat angles P-C4'-P energy: -48.802
tors. eta vs tors. theta energy: -101.822
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: 3, replica: 9
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1144.532019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.532019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.445395 (E_RNA)
where:
Base-Base interactions energy: -798.592
where: short stacking energy: -323.396
Base-Backbone interact. energy: -4.638
local terms energy: -343.215382
where:
bonds (distance) C4'-P energy: -61.807
bonds (distance) P-C4' energy: -74.954
flat angles C4'-P-C4' energy: -72.430
flat angles P-C4'-P energy: -44.721
tors. eta vs tors. theta energy: -89.304
Dist. restrs. and SS energy: 1.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1146.815800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.815800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.032165 (E_RNA)
where:
Base-Base interactions energy: -802.634
where: short stacking energy: -333.655
Base-Backbone interact. energy: -2.666
local terms energy: -345.731712
where:
bonds (distance) C4'-P energy: -54.659
bonds (distance) P-C4' energy: -64.021
flat angles C4'-P-C4' energy: -83.719
flat angles P-C4'-P energy: -54.640
tors. eta vs tors. theta energy: -88.692
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: 5, replica: 10
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1041.127793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.127793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.707370 (E_RNA)
where:
Base-Base interactions energy: -703.347
where: short stacking energy: -296.498
Base-Backbone interact. energy: -1.362
local terms energy: -336.997894
where:
bonds (distance) C4'-P energy: -57.020
bonds (distance) P-C4' energy: -63.967
flat angles C4'-P-C4' energy: -80.906
flat angles P-C4'-P energy: -51.948
tors. eta vs tors. theta energy: -83.156
Dist. restrs. and SS energy: 0.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -985.533142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.533142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.479389 (E_RNA)
where:
Base-Base interactions energy: -692.873
where: short stacking energy: -265.811
Base-Backbone interact. energy: -0.244
local terms energy: -295.362729
where:
bonds (distance) C4'-P energy: -49.799
bonds (distance) P-C4' energy: -67.300
flat angles C4'-P-C4' energy: -67.193
flat angles P-C4'-P energy: -48.228
tors. eta vs tors. theta energy: -62.842
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: 7, replica: 8
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -984.073316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.073316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.597206 (E_RNA)
where:
Base-Base interactions energy: -697.220
where: short stacking energy: -277.744
Base-Backbone interact. energy: -1.874
local terms energy: -288.503270
where:
bonds (distance) C4'-P energy: -42.206
bonds (distance) P-C4' energy: -62.307
flat angles C4'-P-C4' energy: -65.003
flat angles P-C4'-P energy: -40.360
tors. eta vs tors. theta energy: -78.626
Dist. restrs. and SS energy: 3.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -939.642453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.642453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.225149 (E_RNA)
where:
Base-Base interactions energy: -650.836
where: short stacking energy: -242.110
Base-Backbone interact. energy: -3.212
local terms energy: -288.176916
where:
bonds (distance) C4'-P energy: -58.388
bonds (distance) P-C4' energy: -63.384
flat angles C4'-P-C4' energy: -69.860
flat angles P-C4'-P energy: -39.695
tors. eta vs tors. theta energy: -56.849
Dist. restrs. and SS energy: 2.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -943.029525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.029525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.974015 (E_RNA)
where:
Base-Base interactions energy: -659.844
where: short stacking energy: -262.272
Base-Backbone interact. energy: 2.023
local terms energy: -288.153352
where:
bonds (distance) C4'-P energy: -57.957
bonds (distance) P-C4' energy: -64.140
flat angles C4'-P-C4' energy: -57.953
flat angles P-C4'-P energy: -43.700
tors. eta vs tors. theta energy: -64.403
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: 10, replica: 5
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -853.264318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.264318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.448880 (E_RNA)
where:
Base-Base interactions energy: -600.508
where: short stacking energy: -252.301
Base-Backbone interact. energy: -2.090
local terms energy: -255.850925
where:
bonds (distance) C4'-P energy: -48.595
bonds (distance) P-C4' energy: -58.832
flat angles C4'-P-C4' energy: -66.048
flat angles P-C4'-P energy: -22.169
tors. eta vs tors. theta energy: -60.207
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: 1, replica: 4
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1269.300739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.300739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.578926 (E_RNA)
where:
Base-Base interactions energy: -875.852
where: short stacking energy: -369.111
Base-Backbone interact. energy: -2.621
local terms energy: -393.106315
where:
bonds (distance) C4'-P energy: -81.593
bonds (distance) P-C4' energy: -73.878
flat angles C4'-P-C4' energy: -83.619
flat angles P-C4'-P energy: -45.596
tors. eta vs tors. theta energy: -108.421
Dist. restrs. and SS energy: 2.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1209.806361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.806361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.488821 (E_RNA)
where:
Base-Base interactions energy: -845.030
where: short stacking energy: -352.343
Base-Backbone interact. energy: -0.720
local terms energy: -367.738167
where:
bonds (distance) C4'-P energy: -67.125
bonds (distance) P-C4' energy: -72.223
flat angles C4'-P-C4' energy: -74.584
flat angles P-C4'-P energy: -49.708
tors. eta vs tors. theta energy: -104.097
Dist. restrs. and SS energy: 3.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1178.911722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.911722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.444067 (E_RNA)
where:
Base-Base interactions energy: -815.532
where: short stacking energy: -328.725
Base-Backbone interact. energy: -4.668
local terms energy: -363.244463
where:
bonds (distance) C4'-P energy: -68.632
bonds (distance) P-C4' energy: -69.726
flat angles C4'-P-C4' energy: -72.447
flat angles P-C4'-P energy: -50.680
tors. eta vs tors. theta energy: -101.760
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: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1123.068679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.068679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.431490 (E_RNA)
where:
Base-Base interactions energy: -754.334
where: short stacking energy: -317.732
Base-Backbone interact. energy: -2.082
local terms energy: -370.015198
where:
bonds (distance) C4'-P energy: -66.612
bonds (distance) P-C4' energy: -69.455
flat angles C4'-P-C4' energy: -75.312
flat angles P-C4'-P energy: -57.173
tors. eta vs tors. theta energy: -101.464
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: 5, replica: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1012.016987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.016987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.431323 (E_RNA)
where:
Base-Base interactions energy: -695.530
where: short stacking energy: -288.830
Base-Backbone interact. energy: -0.185
local terms energy: -320.715389
where:
bonds (distance) C4'-P energy: -59.820
bonds (distance) P-C4' energy: -63.745
flat angles C4'-P-C4' energy: -72.505
flat angles P-C4'-P energy: -51.987
tors. eta vs tors. theta energy: -72.658
Dist. restrs. and SS energy: 4.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1024.558160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.558160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.992982 (E_RNA)
where:
Base-Base interactions energy: -729.800
where: short stacking energy: -294.737
Base-Backbone interact. energy: 1.147
local terms energy: -298.340205
where:
bonds (distance) C4'-P energy: -51.032
bonds (distance) P-C4' energy: -49.182
flat angles C4'-P-C4' energy: -72.925
flat angles P-C4'-P energy: -47.083
tors. eta vs tors. theta energy: -78.120
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: 7, replica: 7
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -979.371451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.371451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.460821 (E_RNA)
where:
Base-Base interactions energy: -665.192
where: short stacking energy: -271.813
Base-Backbone interact. energy: -0.932
local terms energy: -314.336795
where:
bonds (distance) C4'-P energy: -65.794
bonds (distance) P-C4' energy: -66.256
flat angles C4'-P-C4' energy: -72.115
flat angles P-C4'-P energy: -43.012
tors. eta vs tors. theta energy: -67.160
Dist. restrs. and SS energy: 1.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -956.990128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.990128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.896028 (E_RNA)
where:
Base-Base interactions energy: -675.387
where: short stacking energy: -270.547
Base-Backbone interact. energy: 0.088
local terms energy: -286.597307
where:
bonds (distance) C4'-P energy: -51.407
bonds (distance) P-C4' energy: -65.533
flat angles C4'-P-C4' energy: -59.234
flat angles P-C4'-P energy: -46.448
tors. eta vs tors. theta energy: -63.975
Dist. restrs. and SS energy: 4.906 (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: 1
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -925.185630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.185630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.997687 (E_RNA)
where:
Base-Base interactions energy: -642.415
where: short stacking energy: -251.526
Base-Backbone interact. energy: -0.381
local terms energy: -287.201933
where:
bonds (distance) C4'-P energy: -57.759
bonds (distance) P-C4' energy: -66.528
flat angles C4'-P-C4' energy: -59.197
flat angles P-C4'-P energy: -42.168
tors. eta vs tors. theta energy: -61.551
Dist. restrs. and SS energy: 4.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -842.458625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.458625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.167990 (E_RNA)
where:
Base-Base interactions energy: -587.944
where: short stacking energy: -229.453
Base-Backbone interact. energy: -0.016
local terms energy: -261.207663
where:
bonds (distance) C4'-P energy: -46.930
bonds (distance) P-C4' energy: -59.409
flat angles C4'-P-C4' energy: -69.274
flat angles P-C4'-P energy: -36.415
tors. eta vs tors. theta energy: -49.179
Dist. restrs. and SS energy: 6.709 (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: 390
Temperature: 0.900000
Total energy: -1264.133420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.133420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.417505 (E_RNA)
where:
Base-Base interactions energy: -877.309
where: short stacking energy: -369.325
Base-Backbone interact. energy: -0.239
local terms energy: -389.869370
where:
bonds (distance) C4'-P energy: -71.875
bonds (distance) P-C4' energy: -72.127
flat angles C4'-P-C4' energy: -82.037
flat angles P-C4'-P energy: -57.825
tors. eta vs tors. theta energy: -106.004
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: 2, replica: 6
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1207.364073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.364073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.906156 (E_RNA)
where:
Base-Base interactions energy: -846.371
where: short stacking energy: -338.035
Base-Backbone interact. energy: -2.909
local terms energy: -361.626156
where:
bonds (distance) C4'-P energy: -65.318
bonds (distance) P-C4' energy: -82.723
flat angles C4'-P-C4' energy: -79.495
flat angles P-C4'-P energy: -37.881
tors. eta vs tors. theta energy: -96.210
Dist. restrs. and SS energy: 3.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1172.906280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.906280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.542411 (E_RNA)
where:
Base-Base interactions energy: -835.245
where: short stacking energy: -321.468
Base-Backbone interact. energy: -2.969
local terms energy: -338.327849
where:
bonds (distance) C4'-P energy: -62.443
bonds (distance) P-C4' energy: -63.957
flat angles C4'-P-C4' energy: -73.557
flat angles P-C4'-P energy: -50.687
tors. eta vs tors. theta energy: -87.684
Dist. restrs. and SS energy: 3.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1097.609737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.609737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.036661 (E_RNA)
where:
Base-Base interactions energy: -765.804
where: short stacking energy: -311.093
Base-Backbone interact. energy: -0.595
local terms energy: -332.638333
where:
bonds (distance) C4'-P energy: -59.181
bonds (distance) P-C4' energy: -72.814
flat angles C4'-P-C4' energy: -74.202
flat angles P-C4'-P energy: -41.766
tors. eta vs tors. theta energy: -84.676
Dist. restrs. and SS energy: 1.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1064.790996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.790996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.176554 (E_RNA)
where:
Base-Base interactions energy: -735.523
where: short stacking energy: -296.888
Base-Backbone interact. energy: -1.641
local terms energy: -334.013296
where:
bonds (distance) C4'-P energy: -66.824
bonds (distance) P-C4' energy: -69.404
flat angles C4'-P-C4' energy: -70.158
flat angles P-C4'-P energy: -51.418
tors. eta vs tors. theta energy: -76.208
Dist. restrs. and SS energy: 6.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1014.900845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.900845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.171005 (E_RNA)
where:
Base-Base interactions energy: -685.400
where: short stacking energy: -283.607
Base-Backbone interact. energy: -0.979
local terms energy: -330.792785
where:
bonds (distance) C4'-P energy: -59.700
bonds (distance) P-C4' energy: -71.938
flat angles C4'-P-C4' energy: -60.945
flat angles P-C4'-P energy: -58.888
tors. eta vs tors. theta energy: -79.321
Dist. restrs. and SS energy: 2.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -982.565575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.565575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.291987 (E_RNA)
where:
Base-Base interactions energy: -686.574
where: short stacking energy: -285.566
Base-Backbone interact. energy: 1.177
local terms energy: -298.895656
where:
bonds (distance) C4'-P energy: -62.280
bonds (distance) P-C4' energy: -59.833
flat angles C4'-P-C4' energy: -65.706
flat angles P-C4'-P energy: -38.255
tors. eta vs tors. theta energy: -72.821
Dist. restrs. and SS energy: 1.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -986.570438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.570438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.269693 (E_RNA)
where:
Base-Base interactions energy: -686.348
where: short stacking energy: -271.619
Base-Backbone interact. energy: 2.553
local terms energy: -309.474813
where:
bonds (distance) C4'-P energy: -58.855
bonds (distance) P-C4' energy: -62.616
flat angles C4'-P-C4' energy: -72.681
flat angles P-C4'-P energy: -41.960
tors. eta vs tors. theta energy: -73.363
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: 9, replica: 5
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -857.171773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.171773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.374377 (E_RNA)
where:
Base-Base interactions energy: -595.666
where: short stacking energy: -256.945
Base-Backbone interact. energy: -1.105
local terms energy: -271.603142
where:
bonds (distance) C4'-P energy: -60.208
bonds (distance) P-C4' energy: -42.925
flat angles C4'-P-C4' energy: -62.893
flat angles P-C4'-P energy: -48.721
tors. eta vs tors. theta energy: -56.856
Dist. restrs. and SS energy: 11.203 (S_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: 390
Temperature: 1.350000
Total energy: -852.334508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.334508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.056121 (E_RNA)
where:
Base-Base interactions energy: -606.308
where: short stacking energy: -222.053
Base-Backbone interact. energy: -0.904
local terms energy: -257.844179
where:
bonds (distance) C4'-P energy: -45.435
bonds (distance) P-C4' energy: -59.129
flat angles C4'-P-C4' energy: -63.199
flat angles P-C4'-P energy: -37.048
tors. eta vs tors. theta energy: -53.033
Dist. restrs. and SS energy: 12.722 (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: 4
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1276.131604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.131604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.659904 (E_RNA)
where:
Base-Base interactions energy: -894.109
where: short stacking energy: -357.845
Base-Backbone interact. energy: -1.209
local terms energy: -384.342651
where:
bonds (distance) C4'-P energy: -62.095
bonds (distance) P-C4' energy: -74.256
flat angles C4'-P-C4' energy: -82.680
flat angles P-C4'-P energy: -57.302
tors. eta vs tors. theta energy: -108.010
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: 2, replica: 6
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1235.459708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.459708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.466240 (E_RNA)
where:
Base-Base interactions energy: -866.763
where: short stacking energy: -350.492
Base-Backbone interact. energy: -1.705
local terms energy: -369.997292
where:
bonds (distance) C4'-P energy: -61.458
bonds (distance) P-C4' energy: -81.427
flat angles C4'-P-C4' energy: -72.296
flat angles P-C4'-P energy: -52.844
tors. eta vs tors. theta energy: -101.972
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: 3, replica: 9
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1171.022358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.022358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.536062 (E_RNA)
where:
Base-Base interactions energy: -812.231
where: short stacking energy: -322.487
Base-Backbone interact. energy: -6.720
local terms energy: -354.584275
where:
bonds (distance) C4'-P energy: -70.496
bonds (distance) P-C4' energy: -62.291
flat angles C4'-P-C4' energy: -75.433
flat angles P-C4'-P energy: -51.345
tors. eta vs tors. theta energy: -95.019
Dist. restrs. and SS energy: 2.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1119.036503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.036503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.989785 (E_RNA)
where:
Base-Base interactions energy: -774.916
where: short stacking energy: -316.417
Base-Backbone interact. energy: -2.297
local terms energy: -342.777090
where:
bonds (distance) C4'-P energy: -63.293
bonds (distance) P-C4' energy: -66.344
flat angles C4'-P-C4' energy: -64.968
flat angles P-C4'-P energy: -59.341
tors. eta vs tors. theta energy: -88.831
Dist. restrs. and SS energy: 0.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1034.474513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.474513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.609457 (E_RNA)
where:
Base-Base interactions energy: -713.345
where: short stacking energy: -302.409
Base-Backbone interact. energy: 0.244
local terms energy: -325.508628
where:
bonds (distance) C4'-P energy: -57.866
bonds (distance) P-C4' energy: -63.117
flat angles C4'-P-C4' energy: -72.347
flat angles P-C4'-P energy: -46.332
tors. eta vs tors. theta energy: -85.847
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: 6, replica: 7
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1037.152993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.152993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.515522 (E_RNA)
where:
Base-Base interactions energy: -708.584
where: short stacking energy: -288.574
Base-Backbone interact. energy: 0.004
local terms energy: -329.936174
where:
bonds (distance) C4'-P energy: -55.868
bonds (distance) P-C4' energy: -58.648
flat angles C4'-P-C4' energy: -83.143
flat angles P-C4'-P energy: -53.268
tors. eta vs tors. theta energy: -79.009
Dist. restrs. and SS energy: 1.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -980.933943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.933943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.787693 (E_RNA)
where:
Base-Base interactions energy: -680.391
where: short stacking energy: -283.801
Base-Backbone interact. energy: 0.811
local terms energy: -303.207263
where:
bonds (distance) C4'-P energy: -60.475
bonds (distance) P-C4' energy: -45.889
flat angles C4'-P-C4' energy: -75.324
flat angles P-C4'-P energy: -45.860
tors. eta vs tors. theta energy: -75.659
Dist. restrs. and SS energy: 1.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -920.226295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.226295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.097915 (E_RNA)
where:
Base-Base interactions energy: -648.928
where: short stacking energy: -258.763
Base-Backbone interact. energy: 0.904
local terms energy: -275.073687
where:
bonds (distance) C4'-P energy: -59.526
bonds (distance) P-C4' energy: -47.779
flat angles C4'-P-C4' energy: -59.873
flat angles P-C4'-P energy: -44.993
tors. eta vs tors. theta energy: -62.903
Dist. restrs. and SS energy: 2.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -971.857890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.857890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.796980 (E_RNA)
where:
Base-Base interactions energy: -675.146
where: short stacking energy: -269.095
Base-Backbone interact. energy: -0.341
local terms energy: -299.310252
where:
bonds (distance) C4'-P energy: -64.643
bonds (distance) P-C4' energy: -48.470
flat angles C4'-P-C4' energy: -59.457
flat angles P-C4'-P energy: -52.131
tors. eta vs tors. theta energy: -74.609
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: 10, replica: 1
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -859.333658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.333658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.763889 (E_RNA)
where:
Base-Base interactions energy: -610.865
where: short stacking energy: -227.611
Base-Backbone interact. energy: 5.119
local terms energy: -265.018405
where:
bonds (distance) C4'-P energy: -49.508
bonds (distance) P-C4' energy: -59.266
flat angles C4'-P-C4' energy: -64.839
flat angles P-C4'-P energy: -30.942
tors. eta vs tors. theta energy: -60.463
Dist. restrs. and SS energy: 11.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1265.050846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.050846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.505933 (E_RNA)
where:
Base-Base interactions energy: -885.031
where: short stacking energy: -366.880
Base-Backbone interact. energy: -1.901
local terms energy: -380.573674
where:
bonds (distance) C4'-P energy: -69.923
bonds (distance) P-C4' energy: -72.805
flat angles C4'-P-C4' energy: -77.940
flat angles P-C4'-P energy: -59.559
tors. eta vs tors. theta energy: -100.345
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: 6
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1210.740830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.740830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.206709 (E_RNA)
where:
Base-Base interactions energy: -845.328
where: short stacking energy: -354.568
Base-Backbone interact. energy: -0.188
local terms energy: -368.690506
where:
bonds (distance) C4'-P energy: -58.895
bonds (distance) P-C4' energy: -67.768
flat angles C4'-P-C4' energy: -84.465
flat angles P-C4'-P energy: -54.623
tors. eta vs tors. theta energy: -102.939
Dist. restrs. and SS energy: 3.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1143.581783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.581783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.789283 (E_RNA)
where:
Base-Base interactions energy: -801.108
where: short stacking energy: -322.206
Base-Backbone interact. energy: 1.356
local terms energy: -347.036795
where:
bonds (distance) C4'-P energy: -60.370
bonds (distance) P-C4' energy: -66.566
flat angles C4'-P-C4' energy: -71.180
flat angles P-C4'-P energy: -53.940
tors. eta vs tors. theta energy: -94.981
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: 392
Temperature: 1.050000
Total energy: -1083.432396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.432396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.218704 (E_RNA)
where:
Base-Base interactions energy: -757.696
where: short stacking energy: -330.490
Base-Backbone interact. energy: -1.658
local terms energy: -327.864217
where:
bonds (distance) C4'-P energy: -54.212
bonds (distance) P-C4' energy: -65.373
flat angles C4'-P-C4' energy: -67.941
flat angles P-C4'-P energy: -53.286
tors. eta vs tors. theta energy: -87.053
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: 5, replica: 8
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1065.397456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.397456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.330577 (E_RNA)
where:
Base-Base interactions energy: -743.340
where: short stacking energy: -305.193
Base-Backbone interact. energy: -1.374
local terms energy: -322.616886
where:
bonds (distance) C4'-P energy: -65.752
bonds (distance) P-C4' energy: -67.842
flat angles C4'-P-C4' energy: -63.853
flat angles P-C4'-P energy: -41.258
tors. eta vs tors. theta energy: -83.912
Dist. restrs. and SS energy: 1.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1049.129507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.129507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.870145 (E_RNA)
where:
Base-Base interactions energy: -737.399
where: short stacking energy: -302.512
Base-Backbone interact. energy: 0.635
local terms energy: -313.106438
where:
bonds (distance) C4'-P energy: -58.650
bonds (distance) P-C4' energy: -70.763
flat angles C4'-P-C4' energy: -63.561
flat angles P-C4'-P energy: -42.048
tors. eta vs tors. theta energy: -78.085
Dist. restrs. and SS energy: 0.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1003.074632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.074632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.555410 (E_RNA)
where:
Base-Base interactions energy: -720.721
where: short stacking energy: -279.697
Base-Backbone interact. energy: 7.853
local terms energy: -291.687130
where:
bonds (distance) C4'-P energy: -51.764
bonds (distance) P-C4' energy: -64.377
flat angles C4'-P-C4' energy: -67.800
flat angles P-C4'-P energy: -35.717
tors. eta vs tors. theta energy: -72.029
Dist. restrs. and SS energy: 1.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -895.284960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.284960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.225857 (E_RNA)
where:
Base-Base interactions energy: -635.288
where: short stacking energy: -250.378
Base-Backbone interact. energy: -0.356
local terms energy: -268.582125
where:
bonds (distance) C4'-P energy: -49.901
bonds (distance) P-C4' energy: -55.664
flat angles C4'-P-C4' energy: -65.164
flat angles P-C4'-P energy: -32.718
tors. eta vs tors. theta energy: -65.135
Dist. restrs. and SS energy: 8.941 (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: 3
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -939.366295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.366295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.199504 (E_RNA)
where:
Base-Base interactions energy: -667.981
where: short stacking energy: -259.310
Base-Backbone interact. energy: -0.394
local terms energy: -275.824871
where:
bonds (distance) C4'-P energy: -52.280
bonds (distance) P-C4' energy: -49.897
flat angles C4'-P-C4' energy: -55.455
flat angles P-C4'-P energy: -41.347
tors. eta vs tors. theta energy: -76.845
Dist. restrs. and SS energy: 4.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -870.822877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.822877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.032181 (E_RNA)
where:
Base-Base interactions energy: -623.187
where: short stacking energy: -240.173
Base-Backbone interact. energy: 0.433
local terms energy: -252.278478
where:
bonds (distance) C4'-P energy: -39.084
bonds (distance) P-C4' energy: -51.739
flat angles C4'-P-C4' energy: -54.741
flat angles P-C4'-P energy: -44.426
tors. eta vs tors. theta energy: -62.288
Dist. restrs. and SS energy: 4.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1278.270137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.270137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.671108 (E_RNA)
where:
Base-Base interactions energy: -885.578
where: short stacking energy: -374.134
Base-Backbone interact. energy: 0.166
local terms energy: -396.259107
where:
bonds (distance) C4'-P energy: -74.671
bonds (distance) P-C4' energy: -70.646
flat angles C4'-P-C4' energy: -82.555
flat angles P-C4'-P energy: -54.329
tors. eta vs tors. theta energy: -114.057
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: 2, replica: 6
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1202.840686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.840686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.235254 (E_RNA)
where:
Base-Base interactions energy: -835.734
where: short stacking energy: -355.805
Base-Backbone interact. energy: -1.493
local terms energy: -369.008686
where:
bonds (distance) C4'-P energy: -74.509
bonds (distance) P-C4' energy: -67.360
flat angles C4'-P-C4' energy: -74.436
flat angles P-C4'-P energy: -52.912
tors. eta vs tors. theta energy: -99.791
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: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1169.650145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.650145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.376185 (E_RNA)
where:
Base-Base interactions energy: -838.437
where: short stacking energy: -335.204
Base-Backbone interact. energy: -1.281
local terms energy: -333.658733
where:
bonds (distance) C4'-P energy: -61.689
bonds (distance) P-C4' energy: -65.779
flat angles C4'-P-C4' energy: -65.929
flat angles P-C4'-P energy: -46.830
tors. eta vs tors. theta energy: -93.431
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: 4, replica: 2
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1115.744312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.744312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.966154 (E_RNA)
where:
Base-Base interactions energy: -758.955
where: short stacking energy: -330.121
Base-Backbone interact. energy: -1.734
local terms energy: -359.276645
where:
bonds (distance) C4'-P energy: -69.341
bonds (distance) P-C4' energy: -66.805
flat angles C4'-P-C4' energy: -77.148
flat angles P-C4'-P energy: -56.665
tors. eta vs tors. theta energy: -89.319
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: 5, replica: 8
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1089.843480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.843480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.359641 (E_RNA)
where:
Base-Base interactions energy: -753.033
where: short stacking energy: -315.185
Base-Backbone interact. energy: -1.006
local terms energy: -338.320785
where:
bonds (distance) C4'-P energy: -59.282
bonds (distance) P-C4' energy: -61.195
flat angles C4'-P-C4' energy: -83.447
flat angles P-C4'-P energy: -51.581
tors. eta vs tors. theta energy: -82.817
Dist. restrs. and SS energy: 2.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1047.678691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.678691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.800467 (E_RNA)
where:
Base-Base interactions energy: -712.056
where: short stacking energy: -286.191
Base-Backbone interact. energy: -2.241
local terms energy: -336.503667
where:
bonds (distance) C4'-P energy: -73.743
bonds (distance) P-C4' energy: -68.278
flat angles C4'-P-C4' energy: -63.302
flat angles P-C4'-P energy: -55.019
tors. eta vs tors. theta energy: -76.162
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: 7, replica: 10
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -967.186632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.186632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.840575 (E_RNA)
where:
Base-Base interactions energy: -674.025
where: short stacking energy: -274.295
Base-Backbone interact. energy: -1.287
local terms energy: -294.528594
where:
bonds (distance) C4'-P energy: -65.138
bonds (distance) P-C4' energy: -53.812
flat angles C4'-P-C4' energy: -65.538
flat angles P-C4'-P energy: -41.077
tors. eta vs tors. theta energy: -68.964
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: 8, replica: 3
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -970.122644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.122644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.140072 (E_RNA)
where:
Base-Base interactions energy: -691.896
where: short stacking energy: -282.342
Base-Backbone interact. energy: -1.825
local terms energy: -282.419152
where:
bonds (distance) C4'-P energy: -47.996
bonds (distance) P-C4' energy: -50.791
flat angles C4'-P-C4' energy: -68.879
flat angles P-C4'-P energy: -35.441
tors. eta vs tors. theta energy: -79.312
Dist. restrs. and SS energy: 6.017 (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: 5
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -909.696314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.696314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.198962 (E_RNA)
where:
Base-Base interactions energy: -624.034
where: short stacking energy: -266.503
Base-Backbone interact. energy: 0.384
local terms energy: -289.549339
where:
bonds (distance) C4'-P energy: -58.618
bonds (distance) P-C4' energy: -63.399
flat angles C4'-P-C4' energy: -67.165
flat angles P-C4'-P energy: -39.074
tors. eta vs tors. theta energy: -61.293
Dist. restrs. and SS energy: 3.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -878.737106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.737106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.311234 (E_RNA)
where:
Base-Base interactions energy: -608.098
where: short stacking energy: -236.702
Base-Backbone interact. energy: -1.635
local terms energy: -274.577390
where:
bonds (distance) C4'-P energy: -56.536
bonds (distance) P-C4' energy: -58.988
flat angles C4'-P-C4' energy: -70.249
flat angles P-C4'-P energy: -35.275
tors. eta vs tors. theta energy: -53.530
Dist. restrs. and SS energy: 5.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1261.211188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.211188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.938238 (E_RNA)
where:
Base-Base interactions energy: -876.095
where: short stacking energy: -368.256
Base-Backbone interact. energy: -1.318
local terms energy: -387.525264
where:
bonds (distance) C4'-P energy: -68.663
bonds (distance) P-C4' energy: -72.709
flat angles C4'-P-C4' energy: -82.202
flat angles P-C4'-P energy: -52.278
tors. eta vs tors. theta energy: -111.673
Dist. restrs. and SS energy: 3.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1219.788910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.788910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.677915 (E_RNA)
where:
Base-Base interactions energy: -853.807
where: short stacking energy: -356.972
Base-Backbone interact. energy: -0.467
local terms energy: -369.404002
where:
bonds (distance) C4'-P energy: -61.555
bonds (distance) P-C4' energy: -71.520
flat angles C4'-P-C4' energy: -74.557
flat angles P-C4'-P energy: -53.421
tors. eta vs tors. theta energy: -108.350
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: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1139.825189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.825189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.981629 (E_RNA)
where:
Base-Base interactions energy: -794.349
where: short stacking energy: -348.990
Base-Backbone interact. energy: -2.597
local terms energy: -346.035759
where:
bonds (distance) C4'-P energy: -65.271
bonds (distance) P-C4' energy: -63.407
flat angles C4'-P-C4' energy: -73.194
flat angles P-C4'-P energy: -44.382
tors. eta vs tors. theta energy: -99.781
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: 4, replica: 9
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1149.349556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.349556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.453114 (E_RNA)
where:
Base-Base interactions energy: -808.337
where: short stacking energy: -314.988
Base-Backbone interact. energy: 0.835
local terms energy: -344.951964
where:
bonds (distance) C4'-P energy: -66.464
bonds (distance) P-C4' energy: -65.466
flat angles C4'-P-C4' energy: -68.849
flat angles P-C4'-P energy: -53.371
tors. eta vs tors. theta energy: -90.803
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: 7
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1074.904309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.904309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.259410 (E_RNA)
where:
Base-Base interactions energy: -746.820
where: short stacking energy: -311.499
Base-Backbone interact. energy: -1.490
local terms energy: -327.948762
where:
bonds (distance) C4'-P energy: -62.357
bonds (distance) P-C4' energy: -64.448
flat angles C4'-P-C4' energy: -70.326
flat angles P-C4'-P energy: -49.336
tors. eta vs tors. theta energy: -81.482
Dist. restrs. and SS energy: 1.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1076.269112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.269112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.147203 (E_RNA)
where:
Base-Base interactions energy: -750.203
where: short stacking energy: -323.867
Base-Backbone interact. energy: -1.593
local terms energy: -325.351363
where:
bonds (distance) C4'-P energy: -55.760
bonds (distance) P-C4' energy: -63.592
flat angles C4'-P-C4' energy: -74.855
flat angles P-C4'-P energy: -47.335
tors. eta vs tors. theta energy: -83.809
Dist. restrs. and SS energy: 0.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1004.909504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.909504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.567733 (E_RNA)
where:
Base-Base interactions energy: -700.242
where: short stacking energy: -273.384
Base-Backbone interact. energy: 2.677
local terms energy: -308.002959
where:
bonds (distance) C4'-P energy: -51.745
bonds (distance) P-C4' energy: -75.392
flat angles C4'-P-C4' energy: -71.157
flat angles P-C4'-P energy: -39.472
tors. eta vs tors. theta energy: -70.236
Dist. restrs. and SS energy: 0.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -921.510924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.510924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.267707 (E_RNA)
where:
Base-Base interactions energy: -656.129
where: short stacking energy: -248.246
Base-Backbone interact. energy: -1.540
local terms energy: -267.598027
where:
bonds (distance) C4'-P energy: -48.984
bonds (distance) P-C4' energy: -63.269
flat angles C4'-P-C4' energy: -64.779
flat angles P-C4'-P energy: -43.457
tors. eta vs tors. theta energy: -47.109
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: 1
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -944.377628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.377628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.163697 (E_RNA)
where:
Base-Base interactions energy: -647.218
where: short stacking energy: -260.617
Base-Backbone interact. energy: -1.607
local terms energy: -298.338967
where:
bonds (distance) C4'-P energy: -67.103
bonds (distance) P-C4' energy: -60.379
flat angles C4'-P-C4' energy: -62.212
flat angles P-C4'-P energy: -44.169
tors. eta vs tors. theta energy: -64.476
Dist. restrs. and SS energy: 2.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -856.192521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.192521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.368392 (E_RNA)
where:
Base-Base interactions energy: -609.551
where: short stacking energy: -236.879
Base-Backbone interact. energy: 0.106
local terms energy: -251.923733
where:
bonds (distance) C4'-P energy: -46.145
bonds (distance) P-C4' energy: -66.502
flat angles C4'-P-C4' energy: -51.861
flat angles P-C4'-P energy: -33.153
tors. eta vs tors. theta energy: -54.263
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: 1, replica: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1272.252815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.252815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.019251 (E_RNA)
where:
Base-Base interactions energy: -881.045
where: short stacking energy: -368.189
Base-Backbone interact. energy: -1.099
local terms energy: -392.875215
where:
bonds (distance) C4'-P energy: -70.679
bonds (distance) P-C4' energy: -68.136
flat angles C4'-P-C4' energy: -84.363
flat angles P-C4'-P energy: -56.815
tors. eta vs tors. theta energy: -112.882
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: 395
Temperature: 0.950000
Total energy: -1234.797941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.797941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.997301 (E_RNA)
where:
Base-Base interactions energy: -849.797
where: short stacking energy: -357.864
Base-Backbone interact. energy: 0.472
local terms energy: -389.672263
where:
bonds (distance) C4'-P energy: -67.806
bonds (distance) P-C4' energy: -79.285
flat angles C4'-P-C4' energy: -80.654
flat angles P-C4'-P energy: -56.365
tors. eta vs tors. theta energy: -105.562
Dist. restrs. and SS energy: 4.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1132.080610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.080610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.831823 (E_RNA)
where:
Base-Base interactions energy: -780.449
where: short stacking energy: -320.753
Base-Backbone interact. energy: -0.668
local terms energy: -353.714302
where:
bonds (distance) C4'-P energy: -60.771
bonds (distance) P-C4' energy: -78.685
flat angles C4'-P-C4' energy: -70.475
flat angles P-C4'-P energy: -55.278
tors. eta vs tors. theta energy: -88.505
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: 9
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1130.568754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.568754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.879573 (E_RNA)
where:
Base-Base interactions energy: -800.064
where: short stacking energy: -326.953
Base-Backbone interact. energy: -3.087
local terms energy: -330.728912
where:
bonds (distance) C4'-P energy: -69.471
bonds (distance) P-C4' energy: -68.730
flat angles C4'-P-C4' energy: -72.124
flat angles P-C4'-P energy: -36.627
tors. eta vs tors. theta energy: -83.777
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: 5, replica: 7
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1066.310985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.310985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.659766 (E_RNA)
where:
Base-Base interactions energy: -747.040
where: short stacking energy: -301.459
Base-Backbone interact. energy: 1.481
local terms energy: -323.100428
where:
bonds (distance) C4'-P energy: -57.386
bonds (distance) P-C4' energy: -69.819
flat angles C4'-P-C4' energy: -76.150
flat angles P-C4'-P energy: -41.439
tors. eta vs tors. theta energy: -78.307
Dist. restrs. and SS energy: 2.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1008.905257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.905257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.797150 (E_RNA)
where:
Base-Base interactions energy: -716.348
where: short stacking energy: -290.065
Base-Backbone interact. energy: 1.594
local terms energy: -304.043050
where:
bonds (distance) C4'-P energy: -55.459
bonds (distance) P-C4' energy: -60.674
flat angles C4'-P-C4' energy: -73.090
flat angles P-C4'-P energy: -35.132
tors. eta vs tors. theta energy: -79.688
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: 7, replica: 10
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1002.449382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.449382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.234713 (E_RNA)
where:
Base-Base interactions energy: -687.920
where: short stacking energy: -282.387
Base-Backbone interact. energy: -1.425
local terms energy: -315.890062
where:
bonds (distance) C4'-P energy: -67.003
bonds (distance) P-C4' energy: -45.267
flat angles C4'-P-C4' energy: -76.605
flat angles P-C4'-P energy: -45.294
tors. eta vs tors. theta energy: -81.721
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: 8, replica: 3
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -924.039078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.039078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.754382 (E_RNA)
where:
Base-Base interactions energy: -666.011
where: short stacking energy: -256.441
Base-Backbone interact. energy: -0.094
local terms energy: -259.649547
where:
bonds (distance) C4'-P energy: -56.670
bonds (distance) P-C4' energy: -49.297
flat angles C4'-P-C4' energy: -64.101
flat angles P-C4'-P energy: -27.788
tors. eta vs tors. theta energy: -61.793
Dist. restrs. and SS energy: 1.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -892.879374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.879374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.212056 (E_RNA)
where:
Base-Base interactions energy: -635.091
where: short stacking energy: -238.606
Base-Backbone interact. energy: -0.589
local terms energy: -261.532098
where:
bonds (distance) C4'-P energy: -57.409
bonds (distance) P-C4' energy: -50.250
flat angles C4'-P-C4' energy: -60.325
flat angles P-C4'-P energy: -34.752
tors. eta vs tors. theta energy: -58.795
Dist. restrs. and SS energy: 4.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -824.156781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.156781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.553823 (E_RNA)
where:
Base-Base interactions energy: -574.880
where: short stacking energy: -207.346
Base-Backbone interact. energy: -0.825
local terms energy: -253.849641
where:
bonds (distance) C4'-P energy: -59.226
bonds (distance) P-C4' energy: -55.124
flat angles C4'-P-C4' energy: -60.610
flat angles P-C4'-P energy: -36.905
tors. eta vs tors. theta energy: -41.984
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: 1, replica: 4
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1272.954108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.954108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.617228 (E_RNA)
where:
Base-Base interactions energy: -868.487
where: short stacking energy: -372.100
Base-Backbone interact. energy: -4.139
local terms energy: -402.990839
where:
bonds (distance) C4'-P energy: -80.002
bonds (distance) P-C4' energy: -70.266
flat angles C4'-P-C4' energy: -81.006
flat angles P-C4'-P energy: -61.097
tors. eta vs tors. theta energy: -110.620
Dist. restrs. and SS energy: 2.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1231.120893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.120893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.318390 (E_RNA)
where:
Base-Base interactions energy: -862.338
where: short stacking energy: -365.896
Base-Backbone interact. energy: 1.764
local terms energy: -373.744221
where:
bonds (distance) C4'-P energy: -67.471
bonds (distance) P-C4' energy: -65.641
flat angles C4'-P-C4' energy: -80.444
flat angles P-C4'-P energy: -54.616
tors. eta vs tors. theta energy: -105.573
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: 3, replica: 2
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1163.585255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.585255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.337601 (E_RNA)
where:
Base-Base interactions energy: -820.748
where: short stacking energy: -343.474
Base-Backbone interact. energy: -1.923
local terms energy: -344.665903
where:
bonds (distance) C4'-P energy: -74.116
bonds (distance) P-C4' energy: -53.877
flat angles C4'-P-C4' energy: -77.113
flat angles P-C4'-P energy: -47.468
tors. eta vs tors. theta energy: -92.092
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: 4, replica: 9
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1126.804822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.804822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.495723 (E_RNA)
where:
Base-Base interactions energy: -799.796
where: short stacking energy: -308.376
Base-Backbone interact. energy: -5.540
local terms energy: -327.159782
where:
bonds (distance) C4'-P energy: -53.552
bonds (distance) P-C4' energy: -74.390
flat angles C4'-P-C4' energy: -70.386
flat angles P-C4'-P energy: -41.024
tors. eta vs tors. theta energy: -87.808
Dist. restrs. and SS energy: 5.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1125.685194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.685194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.527950 (E_RNA)
where:
Base-Base interactions energy: -792.268
where: short stacking energy: -335.267
Base-Backbone interact. energy: 1.496
local terms energy: -341.756869
where:
bonds (distance) C4'-P energy: -67.859
bonds (distance) P-C4' energy: -58.420
flat angles C4'-P-C4' energy: -68.297
flat angles P-C4'-P energy: -45.836
tors. eta vs tors. theta energy: -101.345
Dist. restrs. and SS energy: 6.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1037.039595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.039595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.061449 (E_RNA)
where:
Base-Base interactions energy: -728.182
where: short stacking energy: -290.473
Base-Backbone interact. energy: -1.188
local terms energy: -314.691498
where:
bonds (distance) C4'-P energy: -61.925
bonds (distance) P-C4' energy: -72.504
flat angles C4'-P-C4' energy: -62.507
flat angles P-C4'-P energy: -46.344
tors. eta vs tors. theta energy: -71.412
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: 7, replica: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1015.604516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.604516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.823154 (E_RNA)
where:
Base-Base interactions energy: -716.473
where: short stacking energy: -296.178
Base-Backbone interact. energy: -0.822
local terms energy: -301.528127
where:
bonds (distance) C4'-P energy: -60.689
bonds (distance) P-C4' energy: -60.200
flat angles C4'-P-C4' energy: -64.083
flat angles P-C4'-P energy: -44.009
tors. eta vs tors. theta energy: -72.547
Dist. restrs. and SS energy: 3.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -946.769009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.769009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.816099 (E_RNA)
where:
Base-Base interactions energy: -661.305
where: short stacking energy: -256.604
Base-Backbone interact. energy: -1.153
local terms energy: -286.358713
where:
bonds (distance) C4'-P energy: -54.676
bonds (distance) P-C4' energy: -65.750
flat angles C4'-P-C4' energy: -61.908
flat angles P-C4'-P energy: -44.962
tors. eta vs tors. theta energy: -59.063
Dist. restrs. and SS energy: 2.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -839.575522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.575522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.741857 (E_RNA)
where:
Base-Base interactions energy: -594.300
where: short stacking energy: -249.032
Base-Backbone interact. energy: 2.290
local terms energy: -257.732137
where:
bonds (distance) C4'-P energy: -54.878
bonds (distance) P-C4' energy: -58.889
flat angles C4'-P-C4' energy: -56.284
flat angles P-C4'-P energy: -25.760
tors. eta vs tors. theta energy: -61.920
Dist. restrs. and SS energy: 10.166 (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: 1
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -890.183919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.183919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.257830 (E_RNA)
where:
Base-Base interactions energy: -619.863
where: short stacking energy: -229.006
Base-Backbone interact. energy: 2.650
local terms energy: -278.045746
where:
bonds (distance) C4'-P energy: -50.471
bonds (distance) P-C4' energy: -64.847
flat angles C4'-P-C4' energy: -49.644
flat angles P-C4'-P energy: -51.968
tors. eta vs tors. theta energy: -61.116
Dist. restrs. and SS energy: 5.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1245.170963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.170963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.379844 (E_RNA)
where:
Base-Base interactions energy: -878.661
where: short stacking energy: -368.984
Base-Backbone interact. energy: -2.175
local terms energy: -367.544222
where:
bonds (distance) C4'-P energy: -61.815
bonds (distance) P-C4' energy: -64.590
flat angles C4'-P-C4' energy: -83.444
flat angles P-C4'-P energy: -52.538
tors. eta vs tors. theta energy: -105.157
Dist. restrs. and SS energy: 3.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1209.703785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.703785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.333938 (E_RNA)
where:
Base-Base interactions energy: -844.712
where: short stacking energy: -336.468
Base-Backbone interact. energy: -0.010
local terms energy: -368.612028
where:
bonds (distance) C4'-P energy: -68.818
bonds (distance) P-C4' energy: -62.324
flat angles C4'-P-C4' energy: -75.497
flat angles P-C4'-P energy: -56.863
tors. eta vs tors. theta energy: -105.110
Dist. restrs. and SS energy: 3.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1178.085582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.085582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.236438 (E_RNA)
where:
Base-Base interactions energy: -832.434
where: short stacking energy: -353.789
Base-Backbone interact. energy: 1.757
local terms energy: -351.558728
where:
bonds (distance) C4'-P energy: -61.537
bonds (distance) P-C4' energy: -64.148
flat angles C4'-P-C4' energy: -75.840
flat angles P-C4'-P energy: -49.854
tors. eta vs tors. theta energy: -100.180
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: 4, replica: 9
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1125.901862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.901862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.388649 (E_RNA)
where:
Base-Base interactions energy: -768.416
where: short stacking energy: -309.137
Base-Backbone interact. energy: -4.422
local terms energy: -356.550297
where:
bonds (distance) C4'-P energy: -64.060
bonds (distance) P-C4' energy: -70.947
flat angles C4'-P-C4' energy: -70.416
flat angles P-C4'-P energy: -58.940
tors. eta vs tors. theta energy: -92.187
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: 5, replica: 7
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1092.627401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.627401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.546359 (E_RNA)
where:
Base-Base interactions energy: -779.957
where: short stacking energy: -309.848
Base-Backbone interact. energy: -1.933
local terms energy: -314.656610
where:
bonds (distance) C4'-P energy: -55.016
bonds (distance) P-C4' energy: -61.490
flat angles C4'-P-C4' energy: -67.713
flat angles P-C4'-P energy: -50.205
tors. eta vs tors. theta energy: -80.232
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: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1042.923232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.923232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.854824 (E_RNA)
where:
Base-Base interactions energy: -727.175
where: short stacking energy: -319.734
Base-Backbone interact. energy: 0.888
local terms energy: -321.567423
where:
bonds (distance) C4'-P energy: -66.258
bonds (distance) P-C4' energy: -54.087
flat angles C4'-P-C4' energy: -64.017
flat angles P-C4'-P energy: -46.816
tors. eta vs tors. theta energy: -90.389
Dist. restrs. and SS energy: 4.932 (S_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: 397
Temperature: 1.200000
Total energy: -986.922622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.922622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.032098 (E_RNA)
where:
Base-Base interactions energy: -682.378
where: short stacking energy: -294.757
Base-Backbone interact. energy: 0.780
local terms energy: -310.434041
where:
bonds (distance) C4'-P energy: -57.622
bonds (distance) P-C4' energy: -67.822
flat angles C4'-P-C4' energy: -63.648
flat angles P-C4'-P energy: -43.644
tors. eta vs tors. theta energy: -77.698
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: 8, replica: 3
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -908.103225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.103225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.635475 (E_RNA)
where:
Base-Base interactions energy: -620.969
where: short stacking energy: -253.178
Base-Backbone interact. energy: -0.230
local terms energy: -289.437135
where:
bonds (distance) C4'-P energy: -57.475
bonds (distance) P-C4' energy: -64.695
flat angles C4'-P-C4' energy: -53.274
flat angles P-C4'-P energy: -50.120
tors. eta vs tors. theta energy: -63.873
Dist. restrs. and SS energy: 2.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -838.592995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.592995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.251715 (E_RNA)
where:
Base-Base interactions energy: -608.602
where: short stacking energy: -260.490
Base-Backbone interact. energy: -0.624
local terms energy: -240.025311
where:
bonds (distance) C4'-P energy: -59.908
bonds (distance) P-C4' energy: -45.410
flat angles C4'-P-C4' energy: -64.938
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -55.657
Dist. restrs. and SS energy: 10.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -865.214812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.214812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.966779 (E_RNA)
where:
Base-Base interactions energy: -599.247
where: short stacking energy: -237.843
Base-Backbone interact. energy: -0.110
local terms energy: -268.609843
where:
bonds (distance) C4'-P energy: -51.671
bonds (distance) P-C4' energy: -63.933
flat angles C4'-P-C4' energy: -63.233
flat angles P-C4'-P energy: -36.453
tors. eta vs tors. theta energy: -53.319
Dist. restrs. and SS energy: 2.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1267.380040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.380040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.253222 (E_RNA)
where:
Base-Base interactions energy: -903.571
where: short stacking energy: -365.946
Base-Backbone interact. energy: -3.122
local terms energy: -363.559672
where:
bonds (distance) C4'-P energy: -65.344
bonds (distance) P-C4' energy: -75.135
flat angles C4'-P-C4' energy: -72.223
flat angles P-C4'-P energy: -50.874
tors. eta vs tors. theta energy: -99.983
Dist. restrs. and SS energy: 2.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1208.587647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.587647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.652621 (E_RNA)
where:
Base-Base interactions energy: -841.907
where: short stacking energy: -347.627
Base-Backbone interact. energy: -1.532
local terms energy: -369.214175
where:
bonds (distance) C4'-P energy: -69.160
bonds (distance) P-C4' energy: -65.375
flat angles C4'-P-C4' energy: -78.610
flat angles P-C4'-P energy: -53.490
tors. eta vs tors. theta energy: -102.580
Dist. restrs. and SS energy: 4.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1173.698798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.698798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.667406 (E_RNA)
where:
Base-Base interactions energy: -810.293
where: short stacking energy: -334.538
Base-Backbone interact. energy: 1.093
local terms energy: -368.466915
where:
bonds (distance) C4'-P energy: -64.549
bonds (distance) P-C4' energy: -67.754
flat angles C4'-P-C4' energy: -79.511
flat angles P-C4'-P energy: -50.627
tors. eta vs tors. theta energy: -106.026
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: 4, replica: 9
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1147.100461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.100461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.644499 (E_RNA)
where:
Base-Base interactions energy: -803.092
where: short stacking energy: -329.006
Base-Backbone interact. energy: -1.281
local terms energy: -347.270900
where:
bonds (distance) C4'-P energy: -60.904
bonds (distance) P-C4' energy: -69.815
flat angles C4'-P-C4' energy: -71.462
flat angles P-C4'-P energy: -50.523
tors. eta vs tors. theta energy: -94.568
Dist. restrs. and SS energy: 4.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1117.704711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.704711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.997366 (E_RNA)
where:
Base-Base interactions energy: -779.206
where: short stacking energy: -313.904
Base-Backbone interact. energy: -0.239
local terms energy: -340.552196
where:
bonds (distance) C4'-P energy: -68.703
bonds (distance) P-C4' energy: -64.323
flat angles C4'-P-C4' energy: -74.083
flat angles P-C4'-P energy: -48.218
tors. eta vs tors. theta energy: -85.225
Dist. restrs. and SS energy: 2.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1043.289743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.289743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.221523 (E_RNA)
where:
Base-Base interactions energy: -730.694
where: short stacking energy: -303.097
Base-Backbone interact. energy: -0.682
local terms energy: -318.845493
where:
bonds (distance) C4'-P energy: -60.600
bonds (distance) P-C4' energy: -53.372
flat angles C4'-P-C4' energy: -75.799
flat angles P-C4'-P energy: -49.369
tors. eta vs tors. theta energy: -79.706
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: 7, replica: 10
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -966.491771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.491771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.083842 (E_RNA)
where:
Base-Base interactions energy: -675.626
where: short stacking energy: -254.940
Base-Backbone interact. energy: 3.871
local terms energy: -295.329086
where:
bonds (distance) C4'-P energy: -55.405
bonds (distance) P-C4' energy: -60.467
flat angles C4'-P-C4' energy: -66.427
flat angles P-C4'-P energy: -48.654
tors. eta vs tors. theta energy: -64.376
Dist. restrs. and SS energy: 0.592 (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: 398
Temperature: 1.250000
Total energy: -969.145267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.145267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.248901 (E_RNA)
where:
Base-Base interactions energy: -682.610
where: short stacking energy: -273.857
Base-Backbone interact. energy: -0.976
local terms energy: -286.662926
where:
bonds (distance) C4'-P energy: -65.291
bonds (distance) P-C4' energy: -47.020
flat angles C4'-P-C4' energy: -57.668
flat angles P-C4'-P energy: -42.709
tors. eta vs tors. theta energy: -73.976
Dist. restrs. and SS energy: 1.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -899.326941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.326941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.989296 (E_RNA)
where:
Base-Base interactions energy: -638.108
where: short stacking energy: -237.414
Base-Backbone interact. energy: 5.334
local terms energy: -270.214714
where:
bonds (distance) C4'-P energy: -44.201
bonds (distance) P-C4' energy: -56.626
flat angles C4'-P-C4' energy: -77.282
flat angles P-C4'-P energy: -30.505
tors. eta vs tors. theta energy: -61.600
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: 10, replica: 5
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -843.539062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.539062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.908420 (E_RNA)
where:
Base-Base interactions energy: -603.297
where: short stacking energy: -233.096
Base-Backbone interact. energy: -4.369
local terms energy: -240.242591
where:
bonds (distance) C4'-P energy: -41.142
bonds (distance) P-C4' energy: -45.238
flat angles C4'-P-C4' energy: -60.328
flat angles P-C4'-P energy: -39.352
tors. eta vs tors. theta energy: -54.183
Dist. restrs. and SS energy: 4.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1276.451931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.451931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.206176 (E_RNA)
where:
Base-Base interactions energy: -895.597
where: short stacking energy: -382.634
Base-Backbone interact. energy: -1.702
local terms energy: -381.908096
where:
bonds (distance) C4'-P energy: -69.842
bonds (distance) P-C4' energy: -61.512
flat angles C4'-P-C4' energy: -85.570
flat angles P-C4'-P energy: -48.643
tors. eta vs tors. theta energy: -116.341
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: 2
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1175.103267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.103267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.672084 (E_RNA)
where:
Base-Base interactions energy: -820.187
where: short stacking energy: -335.369
Base-Backbone interact. energy: -2.926
local terms energy: -355.558871
where:
bonds (distance) C4'-P energy: -63.352
bonds (distance) P-C4' energy: -63.561
flat angles C4'-P-C4' energy: -75.379
flat angles P-C4'-P energy: -59.787
tors. eta vs tors. theta energy: -93.479
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: 3, replica: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1176.385429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.385429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.586125 (E_RNA)
where:
Base-Base interactions energy: -834.117
where: short stacking energy: -328.066
Base-Backbone interact. energy: -0.223
local terms energy: -346.246191
where:
bonds (distance) C4'-P energy: -59.922
bonds (distance) P-C4' energy: -63.356
flat angles C4'-P-C4' energy: -73.071
flat angles P-C4'-P energy: -57.841
tors. eta vs tors. theta energy: -92.057
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: 4, replica: 7
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1169.028055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.028055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.004286 (E_RNA)
where:
Base-Base interactions energy: -824.183
where: short stacking energy: -335.781
Base-Backbone interact. energy: -2.052
local terms energy: -345.769385
where:
bonds (distance) C4'-P energy: -71.453
bonds (distance) P-C4' energy: -65.678
flat angles C4'-P-C4' energy: -67.951
flat angles P-C4'-P energy: -44.850
tors. eta vs tors. theta energy: -95.839
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: 5, replica: 9
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1082.608163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.608163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.673563 (E_RNA)
where:
Base-Base interactions energy: -742.930
where: short stacking energy: -291.437
Base-Backbone interact. energy: -0.610
local terms energy: -343.133454
where:
bonds (distance) C4'-P energy: -61.529
bonds (distance) P-C4' energy: -79.981
flat angles C4'-P-C4' energy: -73.119
flat angles P-C4'-P energy: -48.635
tors. eta vs tors. theta energy: -79.869
Dist. restrs. and SS energy: 4.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1028.621145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.621145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.956479 (E_RNA)
where:
Base-Base interactions energy: -722.933
where: short stacking energy: -322.234
Base-Backbone interact. energy: 0.619
local terms energy: -312.642554
where:
bonds (distance) C4'-P energy: -58.028
bonds (distance) P-C4' energy: -55.551
flat angles C4'-P-C4' energy: -64.814
flat angles P-C4'-P energy: -45.308
tors. eta vs tors. theta energy: -88.941
Dist. restrs. and SS energy: 6.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1000.296634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.296634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.249154 (E_RNA)
where:
Base-Base interactions energy: -683.566
where: short stacking energy: -288.222
Base-Backbone interact. energy: 2.293
local terms energy: -320.976774
where:
bonds (distance) C4'-P energy: -61.037
bonds (distance) P-C4' energy: -67.299
flat angles C4'-P-C4' energy: -67.239
flat angles P-C4'-P energy: -48.265
tors. eta vs tors. theta energy: -77.136
Dist. restrs. and SS energy: 1.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -958.454010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.454010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.104647 (E_RNA)
where:
Base-Base interactions energy: -678.369
where: short stacking energy: -274.033
Base-Backbone interact. energy: 1.241
local terms energy: -282.976617
where:
bonds (distance) C4'-P energy: -57.302
bonds (distance) P-C4' energy: -46.752
flat angles C4'-P-C4' energy: -73.279
flat angles P-C4'-P energy: -41.482
tors. eta vs tors. theta energy: -64.161
Dist. restrs. and SS energy: 1.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -916.066788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.066788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.045700 (E_RNA)
where:
Base-Base interactions energy: -643.464
where: short stacking energy: -256.185
Base-Backbone interact. energy: -3.232
local terms energy: -275.349343
where:
bonds (distance) C4'-P energy: -65.018
bonds (distance) P-C4' energy: -55.941
flat angles C4'-P-C4' energy: -52.453
flat angles P-C4'-P energy: -35.163
tors. eta vs tors. theta energy: -66.774
Dist. restrs. and SS energy: 5.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -797.573460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.573460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.813369 (E_RNA)
where:
Base-Base interactions energy: -557.494
where: short stacking energy: -205.763
Base-Backbone interact. energy: 2.490
local terms energy: -246.809574
where:
bonds (distance) C4'-P energy: -39.144
bonds (distance) P-C4' energy: -72.165
flat angles C4'-P-C4' energy: -58.508
flat angles P-C4'-P energy: -31.495
tors. eta vs tors. theta energy: -45.497
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: 1, replica: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1283.890863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.890863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.928016 (E_RNA)
where:
Base-Base interactions energy: -894.124
where: short stacking energy: -371.725
Base-Backbone interact. energy: -1.560
local terms energy: -392.243482
where:
bonds (distance) C4'-P energy: -68.883
bonds (distance) P-C4' energy: -63.415
flat angles C4'-P-C4' energy: -85.496
flat angles P-C4'-P energy: -59.719
tors. eta vs tors. theta energy: -114.730
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: 2, replica: 2
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1177.561020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.561020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.369081 (E_RNA)
where:
Base-Base interactions energy: -821.236
where: short stacking energy: -345.806
Base-Backbone interact. energy: -0.750
local terms energy: -359.382644
where:
bonds (distance) C4'-P energy: -61.402
bonds (distance) P-C4' energy: -76.285
flat angles C4'-P-C4' energy: -72.589
flat angles P-C4'-P energy: -55.623
tors. eta vs tors. theta energy: -93.484
Dist. restrs. and SS energy: 3.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1181.537769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.537769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.112316 (E_RNA)
where:
Base-Base interactions energy: -833.192
where: short stacking energy: -355.401
Base-Backbone interact. energy: -0.292
local terms energy: -351.628202
where:
bonds (distance) C4'-P energy: -62.866
bonds (distance) P-C4' energy: -65.492
flat angles C4'-P-C4' energy: -68.254
flat angles P-C4'-P energy: -45.622
tors. eta vs tors. theta energy: -109.395
Dist. restrs. and SS energy: 3.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1139.930237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.930237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.196035 (E_RNA)
where:
Base-Base interactions energy: -789.780
where: short stacking energy: -328.701
Base-Backbone interact. energy: -1.312
local terms energy: -352.103623
where:
bonds (distance) C4'-P energy: -71.537
bonds (distance) P-C4' energy: -72.160
flat angles C4'-P-C4' energy: -73.254
flat angles P-C4'-P energy: -42.871
tors. eta vs tors. theta energy: -92.281
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: 5, replica: 9
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1107.422777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.422777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.445633 (E_RNA)
where:
Base-Base interactions energy: -770.878
where: short stacking energy: -325.565
Base-Backbone interact. energy: 3.260
local terms energy: -342.828056
where:
bonds (distance) C4'-P energy: -64.149
bonds (distance) P-C4' energy: -62.719
flat angles C4'-P-C4' energy: -69.030
flat angles P-C4'-P energy: -51.409
tors. eta vs tors. theta energy: -95.521
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: 6, replica: 8
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1011.589426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.589426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.561541 (E_RNA)
where:
Base-Base interactions energy: -701.117
where: short stacking energy: -285.870
Base-Backbone interact. energy: -1.271
local terms energy: -314.172676
where:
bonds (distance) C4'-P energy: -54.562
bonds (distance) P-C4' energy: -66.728
flat angles C4'-P-C4' energy: -67.994
flat angles P-C4'-P energy: -42.436
tors. eta vs tors. theta energy: -82.453
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: 7, replica: 10
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1016.896378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.896378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.729398 (E_RNA)
where:
Base-Base interactions energy: -708.390
where: short stacking energy: -291.002
Base-Backbone interact. energy: 1.183
local terms energy: -311.522344
where:
bonds (distance) C4'-P energy: -61.934
bonds (distance) P-C4' energy: -65.750
flat angles C4'-P-C4' energy: -72.422
flat angles P-C4'-P energy: -42.760
tors. eta vs tors. theta energy: -68.657
Dist. restrs. and SS energy: 1.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -955.103943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.103943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.081488 (E_RNA)
where:
Base-Base interactions energy: -660.997
where: short stacking energy: -266.044
Base-Backbone interact. energy: -1.731
local terms energy: -293.353428
where:
bonds (distance) C4'-P energy: -48.286
bonds (distance) P-C4' energy: -68.711
flat angles C4'-P-C4' energy: -62.513
flat angles P-C4'-P energy: -44.433
tors. eta vs tors. theta energy: -69.410
Dist. restrs. and SS energy: 0.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -914.381949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.381949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.679538 (E_RNA)
where:
Base-Base interactions energy: -659.353
where: short stacking energy: -255.706
Base-Backbone interact. energy: 1.578
local terms energy: -260.904858
where:
bonds (distance) C4'-P energy: -58.890
bonds (distance) P-C4' energy: -53.714
flat angles C4'-P-C4' energy: -54.152
flat angles P-C4'-P energy: -37.235
tors. eta vs tors. theta energy: -56.913
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: 10, replica: 5
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -855.846993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.846993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.090282 (E_RNA)
where:
Base-Base interactions energy: -591.417
where: short stacking energy: -234.732
Base-Backbone interact. energy: -2.437
local terms energy: -268.235591
where:
bonds (distance) C4'-P energy: -50.559
bonds (distance) P-C4' energy: -66.471
flat angles C4'-P-C4' energy: -65.621
flat angles P-C4'-P energy: -37.927
tors. eta vs tors. theta energy: -47.658
Dist. restrs. and SS energy: 6.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1276.805599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.805599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.124374 (E_RNA)
where:
Base-Base interactions energy: -899.824
where: short stacking energy: -374.953
Base-Backbone interact. energy: -1.481
local terms energy: -377.819047
where:
bonds (distance) C4'-P energy: -68.051
bonds (distance) P-C4' energy: -69.478
flat angles C4'-P-C4' energy: -77.419
flat angles P-C4'-P energy: -49.648
tors. eta vs tors. theta energy: -113.222
Dist. restrs. and SS energy: 2.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1212.925125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.925125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.043710 (E_RNA)
where:
Base-Base interactions energy: -849.232
where: short stacking energy: -354.446
Base-Backbone interact. energy: 0.845
local terms energy: -368.656375
where:
bonds (distance) C4'-P energy: -67.119
bonds (distance) P-C4' energy: -70.643
flat angles C4'-P-C4' energy: -77.576
flat angles P-C4'-P energy: -47.507
tors. eta vs tors. theta energy: -105.811
Dist. restrs. and SS energy: 4.119 (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: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1147.007251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.007251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.062616 (E_RNA)
where:
Base-Base interactions energy: -803.830
where: short stacking energy: -320.053
Base-Backbone interact. energy: 0.283
local terms energy: -347.515620
where:
bonds (distance) C4'-P energy: -67.809
bonds (distance) P-C4' energy: -62.820
flat angles C4'-P-C4' energy: -74.020
flat angles P-C4'-P energy: -47.746
tors. eta vs tors. theta energy: -95.120
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: 4, replica: 7
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1157.681266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.681266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.052752 (E_RNA)
where:
Base-Base interactions energy: -808.732
where: short stacking energy: -326.845
Base-Backbone interact. energy: -2.380
local terms energy: -348.940252
where:
bonds (distance) C4'-P energy: -59.688
bonds (distance) P-C4' energy: -69.751
flat angles C4'-P-C4' energy: -75.655
flat angles P-C4'-P energy: -51.610
tors. eta vs tors. theta energy: -92.236
Dist. restrs. and SS energy: 2.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1094.320438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.320438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.187809 (E_RNA)
where:
Base-Base interactions energy: -749.923
where: short stacking energy: -302.455
Base-Backbone interact. energy: -1.246
local terms energy: -347.019748
where:
bonds (distance) C4'-P energy: -65.441
bonds (distance) P-C4' energy: -69.357
flat angles C4'-P-C4' energy: -81.537
flat angles P-C4'-P energy: -48.704
tors. eta vs tors. theta energy: -81.980
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: 6, replica: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1036.627807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.627807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.843476 (E_RNA)
where:
Base-Base interactions energy: -726.226
where: short stacking energy: -296.526
Base-Backbone interact. energy: 0.292
local terms energy: -317.909736
where:
bonds (distance) C4'-P energy: -49.933
bonds (distance) P-C4' energy: -67.344
flat angles C4'-P-C4' energy: -72.672
flat angles P-C4'-P energy: -46.372
tors. eta vs tors. theta energy: -81.589
Dist. restrs. and SS energy: 7.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -991.875123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.875123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.848531 (E_RNA)
where:
Base-Base interactions energy: -686.461
where: short stacking energy: -274.259
Base-Backbone interact. energy: -2.048
local terms energy: -304.339388
where:
bonds (distance) C4'-P energy: -62.792
bonds (distance) P-C4' energy: -64.544
flat angles C4'-P-C4' energy: -65.516
flat angles P-C4'-P energy: -36.687
tors. eta vs tors. theta energy: -74.799
Dist. restrs. and SS energy: 0.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -950.523677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.523677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.240682 (E_RNA)
where:
Base-Base interactions energy: -670.963
where: short stacking energy: -274.207
Base-Backbone interact. energy: -0.834
local terms energy: -282.444164
where:
bonds (distance) C4'-P energy: -43.255
bonds (distance) P-C4' energy: -60.046
flat angles C4'-P-C4' energy: -64.144
flat angles P-C4'-P energy: -40.005
tors. eta vs tors. theta energy: -74.994
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: 9, replica: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -907.120453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.120453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.380943 (E_RNA)
where:
Base-Base interactions energy: -636.375
where: short stacking energy: -258.012
Base-Backbone interact. energy: 2.056
local terms energy: -276.062695
where:
bonds (distance) C4'-P energy: -59.057
bonds (distance) P-C4' energy: -63.238
flat angles C4'-P-C4' energy: -52.192
flat angles P-C4'-P energy: -39.510
tors. eta vs tors. theta energy: -62.066
Dist. restrs. and SS energy: 3.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -844.529516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.529516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.148707 (E_RNA)
where:
Base-Base interactions energy: -594.472
where: short stacking energy: -221.807
Base-Backbone interact. energy: -2.140
local terms energy: -258.536526
where:
bonds (distance) C4'-P energy: -53.967
bonds (distance) P-C4' energy: -49.901
flat angles C4'-P-C4' energy: -69.680
flat angles P-C4'-P energy: -35.801
tors. eta vs tors. theta energy: -49.188
Dist. restrs. and SS energy: 10.619 (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: 4
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1278.329730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.329730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.283391 (E_RNA)
where:
Base-Base interactions energy: -892.729
where: short stacking energy: -361.077
Base-Backbone interact. energy: -0.345
local terms energy: -389.208737
where:
bonds (distance) C4'-P energy: -71.368
bonds (distance) P-C4' energy: -70.041
flat angles C4'-P-C4' energy: -85.750
flat angles P-C4'-P energy: -56.085
tors. eta vs tors. theta energy: -105.965
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: 402
Temperature: 0.950000
Total energy: -1204.999912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.999912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.712944 (E_RNA)
where:
Base-Base interactions energy: -842.067
where: short stacking energy: -351.764
Base-Backbone interact. energy: 1.142
local terms energy: -366.788577
where:
bonds (distance) C4'-P energy: -64.536
bonds (distance) P-C4' energy: -70.808
flat angles C4'-P-C4' energy: -70.982
flat angles P-C4'-P energy: -58.493
tors. eta vs tors. theta energy: -101.969
Dist. restrs. and SS energy: 2.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1151.449327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.449327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.260223 (E_RNA)
where:
Base-Base interactions energy: -802.827
where: short stacking energy: -327.372
Base-Backbone interact. energy: -1.779
local terms energy: -351.654253
where:
bonds (distance) C4'-P energy: -63.202
bonds (distance) P-C4' energy: -67.201
flat angles C4'-P-C4' energy: -80.473
flat angles P-C4'-P energy: -46.863
tors. eta vs tors. theta energy: -93.915
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: 4, replica: 7
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1116.334701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.334701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.999423 (E_RNA)
where:
Base-Base interactions energy: -775.519
where: short stacking energy: -309.568
Base-Backbone interact. energy: -0.603
local terms energy: -341.877316
where:
bonds (distance) C4'-P energy: -58.874
bonds (distance) P-C4' energy: -77.339
flat angles C4'-P-C4' energy: -69.044
flat angles P-C4'-P energy: -45.821
tors. eta vs tors. theta energy: -90.799
Dist. restrs. and SS energy: 1.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1122.248455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.248455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.975548 (E_RNA)
where:
Base-Base interactions energy: -790.075
where: short stacking energy: -326.105
Base-Backbone interact. energy: -0.011
local terms energy: -335.888798
where:
bonds (distance) C4'-P energy: -59.019
bonds (distance) P-C4' energy: -72.302
flat angles C4'-P-C4' energy: -70.405
flat angles P-C4'-P energy: -49.600
tors. eta vs tors. theta energy: -84.563
Dist. restrs. and SS energy: 3.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1043.014237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.014237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.620299 (E_RNA)
where:
Base-Base interactions energy: -710.122
where: short stacking energy: -283.591
Base-Backbone interact. energy: -0.848
local terms energy: -334.649818
where:
bonds (distance) C4'-P energy: -64.945
bonds (distance) P-C4' energy: -73.827
flat angles C4'-P-C4' energy: -69.982
flat angles P-C4'-P energy: -49.530
tors. eta vs tors. theta energy: -76.366
Dist. restrs. and SS energy: 2.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1002.687708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.687708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.426420 (E_RNA)
where:
Base-Base interactions energy: -696.809
where: short stacking energy: -292.309
Base-Backbone interact. energy: -1.017
local terms energy: -305.600502
where:
bonds (distance) C4'-P energy: -55.415
bonds (distance) P-C4' energy: -67.221
flat angles C4'-P-C4' energy: -59.408
flat angles P-C4'-P energy: -39.751
tors. eta vs tors. theta energy: -83.806
Dist. restrs. and SS energy: 0.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -934.082595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.082595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.464908 (E_RNA)
where:
Base-Base interactions energy: -654.011
where: short stacking energy: -239.517
Base-Backbone interact. energy: -1.016
local terms energy: -284.438141
where:
bonds (distance) C4'-P energy: -55.209
bonds (distance) P-C4' energy: -64.313
flat angles C4'-P-C4' energy: -61.381
flat angles P-C4'-P energy: -43.425
tors. eta vs tors. theta energy: -60.109
Dist. restrs. and SS energy: 5.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -912.965660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.965660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.661857 (E_RNA)
where:
Base-Base interactions energy: -650.924
where: short stacking energy: -249.410
Base-Backbone interact. energy: -2.793
local terms energy: -260.944652
where:
bonds (distance) C4'-P energy: -47.323
bonds (distance) P-C4' energy: -59.487
flat angles C4'-P-C4' energy: -58.769
flat angles P-C4'-P energy: -33.770
tors. eta vs tors. theta energy: -61.596
Dist. restrs. and SS energy: 1.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -867.315991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.315991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.877647 (E_RNA)
where:
Base-Base interactions energy: -619.379
where: short stacking energy: -250.790
Base-Backbone interact. energy: -1.458
local terms energy: -259.040511
where:
bonds (distance) C4'-P energy: -53.754
bonds (distance) P-C4' energy: -55.266
flat angles C4'-P-C4' energy: -55.526
flat angles P-C4'-P energy: -38.810
tors. eta vs tors. theta energy: -55.684
Dist. restrs. and SS energy: 12.562 (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: 4
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1280.038736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.038736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.561812 (E_RNA)
where:
Base-Base interactions energy: -899.962
where: short stacking energy: -364.273
Base-Backbone interact. energy: -1.761
local terms energy: -381.838579
where:
bonds (distance) C4'-P energy: -63.456
bonds (distance) P-C4' energy: -73.552
flat angles C4'-P-C4' energy: -74.325
flat angles P-C4'-P energy: -57.283
tors. eta vs tors. theta energy: -113.223
Dist. restrs. and SS energy: 3.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1194.625812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.625812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.133092 (E_RNA)
where:
Base-Base interactions energy: -833.226
where: short stacking energy: -361.229
Base-Backbone interact. energy: 1.146
local terms energy: -366.052815
where:
bonds (distance) C4'-P energy: -66.515
bonds (distance) P-C4' energy: -67.464
flat angles C4'-P-C4' energy: -78.150
flat angles P-C4'-P energy: -49.272
tors. eta vs tors. theta energy: -104.651
Dist. restrs. and SS energy: 3.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1142.226500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.226500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.512546 (E_RNA)
where:
Base-Base interactions energy: -804.515
where: short stacking energy: -335.695
Base-Backbone interact. energy: -1.690
local terms energy: -340.308256
where:
bonds (distance) C4'-P energy: -59.562
bonds (distance) P-C4' energy: -69.251
flat angles C4'-P-C4' energy: -76.338
flat angles P-C4'-P energy: -44.511
tors. eta vs tors. theta energy: -90.647
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: 4, replica: 9
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1122.828838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.828838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.961110 (E_RNA)
where:
Base-Base interactions energy: -790.976
where: short stacking energy: -339.542
Base-Backbone interact. energy: -0.090
local terms energy: -334.895515
where:
bonds (distance) C4'-P energy: -65.831
bonds (distance) P-C4' energy: -58.392
flat angles C4'-P-C4' energy: -70.988
flat angles P-C4'-P energy: -40.173
tors. eta vs tors. theta energy: -99.510
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: 5, replica: 7
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1118.757742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.757742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.283578 (E_RNA)
where:
Base-Base interactions energy: -773.111
where: short stacking energy: -321.516
Base-Backbone interact. energy: -3.113
local terms energy: -344.059304
where:
bonds (distance) C4'-P energy: -59.932
bonds (distance) P-C4' energy: -64.500
flat angles C4'-P-C4' energy: -83.481
flat angles P-C4'-P energy: -46.884
tors. eta vs tors. theta energy: -89.262
Dist. restrs. and SS energy: 1.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1005.723561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.723561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.796206 (E_RNA)
where:
Base-Base interactions energy: -709.578
where: short stacking energy: -296.820
Base-Backbone interact. energy: -0.494
local terms energy: -298.724262
where:
bonds (distance) C4'-P energy: -62.511
bonds (distance) P-C4' energy: -49.351
flat angles C4'-P-C4' energy: -62.149
flat angles P-C4'-P energy: -42.641
tors. eta vs tors. theta energy: -82.072
Dist. restrs. and SS energy: 3.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -992.208631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.208631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.934424 (E_RNA)
where:
Base-Base interactions energy: -687.484
where: short stacking energy: -269.749
Base-Backbone interact. energy: -2.444
local terms energy: -303.007085
where:
bonds (distance) C4'-P energy: -66.977
bonds (distance) P-C4' energy: -55.272
flat angles C4'-P-C4' energy: -64.557
flat angles P-C4'-P energy: -43.970
tors. eta vs tors. theta energy: -72.231
Dist. restrs. and SS energy: 0.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -957.965449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.965449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.889405 (E_RNA)
where:
Base-Base interactions energy: -652.168
where: short stacking energy: -256.395
Base-Backbone interact. energy: 0.972
local terms energy: -311.693378
where:
bonds (distance) C4'-P energy: -65.143
bonds (distance) P-C4' energy: -67.332
flat angles C4'-P-C4' energy: -64.122
flat angles P-C4'-P energy: -44.512
tors. eta vs tors. theta energy: -70.584
Dist. restrs. and SS energy: 4.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -933.167335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.167335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.552213 (E_RNA)
where:
Base-Base interactions energy: -664.991
where: short stacking energy: -264.397
Base-Backbone interact. energy: 0.364
local terms energy: -268.924974
where:
bonds (distance) C4'-P energy: -55.758
bonds (distance) P-C4' energy: -61.503
flat angles C4'-P-C4' energy: -53.163
flat angles P-C4'-P energy: -38.023
tors. eta vs tors. theta energy: -60.478
Dist. restrs. and SS energy: 0.385 (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: 5
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -885.876376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.876376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.618181 (E_RNA)
where:
Base-Base interactions energy: -621.719
where: short stacking energy: -247.513
Base-Backbone interact. energy: 0.414
local terms energy: -266.312867
where:
bonds (distance) C4'-P energy: -70.577
bonds (distance) P-C4' energy: -41.062
flat angles C4'-P-C4' energy: -59.418
flat angles P-C4'-P energy: -26.462
tors. eta vs tors. theta energy: -68.793
Dist. restrs. and SS energy: 1.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1284.729441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.729441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.500176 (E_RNA)
where:
Base-Base interactions energy: -907.788
where: short stacking energy: -371.210
Base-Backbone interact. energy: -1.946
local terms energy: -378.766644
where:
bonds (distance) C4'-P energy: -71.074
bonds (distance) P-C4' energy: -66.563
flat angles C4'-P-C4' energy: -75.079
flat angles P-C4'-P energy: -53.914
tors. eta vs tors. theta energy: -112.137
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: 2, replica: 6
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1201.907712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.907712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.074614 (E_RNA)
where:
Base-Base interactions energy: -829.980
where: short stacking energy: -349.955
Base-Backbone interact. energy: 0.816
local terms energy: -375.910975
where:
bonds (distance) C4'-P energy: -71.255
bonds (distance) P-C4' energy: -72.966
flat angles C4'-P-C4' energy: -78.815
flat angles P-C4'-P energy: -54.459
tors. eta vs tors. theta energy: -98.416
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: 9
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1157.091973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.091973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.159057 (E_RNA)
where:
Base-Base interactions energy: -792.702
where: short stacking energy: -337.622
Base-Backbone interact. energy: -2.326
local terms energy: -365.130510
where:
bonds (distance) C4'-P energy: -66.066
bonds (distance) P-C4' energy: -74.382
flat angles C4'-P-C4' energy: -76.798
flat angles P-C4'-P energy: -51.066
tors. eta vs tors. theta energy: -96.819
Dist. restrs. and SS energy: 3.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1151.618445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.618445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.900229 (E_RNA)
where:
Base-Base interactions energy: -819.552
where: short stacking energy: -333.243
Base-Backbone interact. energy: 0.147
local terms energy: -336.494970
where:
bonds (distance) C4'-P energy: -72.205
bonds (distance) P-C4' energy: -54.085
flat angles C4'-P-C4' energy: -70.800
flat angles P-C4'-P energy: -49.716
tors. eta vs tors. theta energy: -89.688
Dist. restrs. and SS energy: 4.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1099.814367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.814367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.764265 (E_RNA)
where:
Base-Base interactions energy: -784.870
where: short stacking energy: -314.300
Base-Backbone interact. energy: -2.155
local terms energy: -313.739358
where:
bonds (distance) C4'-P energy: -56.423
bonds (distance) P-C4' energy: -47.660
flat angles C4'-P-C4' energy: -75.126
flat angles P-C4'-P energy: -47.311
tors. eta vs tors. theta energy: -87.220
Dist. restrs. and SS energy: 0.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1020.998489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.998489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.422701 (E_RNA)
where:
Base-Base interactions energy: -711.671
where: short stacking energy: -293.363
Base-Backbone interact. energy: -0.983
local terms energy: -311.768749
where:
bonds (distance) C4'-P energy: -60.397
bonds (distance) P-C4' energy: -63.157
flat angles C4'-P-C4' energy: -71.408
flat angles P-C4'-P energy: -39.804
tors. eta vs tors. theta energy: -77.003
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: 7, replica: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1003.230242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.230242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.442126 (E_RNA)
where:
Base-Base interactions energy: -695.172
where: short stacking energy: -281.142
Base-Backbone interact. energy: -2.030
local terms energy: -308.239465
where:
bonds (distance) C4'-P energy: -64.514
bonds (distance) P-C4' energy: -54.436
flat angles C4'-P-C4' energy: -68.010
flat angles P-C4'-P energy: -47.084
tors. eta vs tors. theta energy: -74.197
Dist. restrs. and SS energy: 2.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -906.081927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.081927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.747549 (E_RNA)
where:
Base-Base interactions energy: -654.601
where: short stacking energy: -265.348
Base-Backbone interact. energy: -0.539
local terms energy: -262.607827
where:
bonds (distance) C4'-P energy: -40.262
bonds (distance) P-C4' energy: -57.218
flat angles C4'-P-C4' energy: -56.242
flat angles P-C4'-P energy: -43.264
tors. eta vs tors. theta energy: -65.623
Dist. restrs. and SS energy: 11.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -956.083204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.083204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.590827 (E_RNA)
where:
Base-Base interactions energy: -657.709
where: short stacking energy: -252.046
Base-Backbone interact. energy: -1.947
local terms energy: -299.934153
where:
bonds (distance) C4'-P energy: -64.855
bonds (distance) P-C4' energy: -52.031
flat angles C4'-P-C4' energy: -61.110
flat angles P-C4'-P energy: -52.369
tors. eta vs tors. theta energy: -69.569
Dist. restrs. and SS energy: 3.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -840.710446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.710446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.323584 (E_RNA)
where:
Base-Base interactions energy: -620.077
where: short stacking energy: -232.276
Base-Backbone interact. energy: -0.181
local terms energy: -227.065730
where:
bonds (distance) C4'-P energy: -51.277
bonds (distance) P-C4' energy: -45.543
flat angles C4'-P-C4' energy: -49.582
flat angles P-C4'-P energy: -37.300
tors. eta vs tors. theta energy: -43.364
Dist. restrs. and SS energy: 6.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1276.675003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.675003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.767044 (E_RNA)
where:
Base-Base interactions energy: -893.737
where: short stacking energy: -351.731
Base-Backbone interact. energy: -2.476
local terms energy: -384.554539
where:
bonds (distance) C4'-P energy: -69.349
bonds (distance) P-C4' energy: -72.066
flat angles C4'-P-C4' energy: -77.319
flat angles P-C4'-P energy: -53.470
tors. eta vs tors. theta energy: -112.350
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: 2, replica: 6
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1194.046450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.046450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.583195 (E_RNA)
where:
Base-Base interactions energy: -817.299
where: short stacking energy: -322.482
Base-Backbone interact. energy: -4.629
local terms energy: -375.654855
where:
bonds (distance) C4'-P energy: -72.751
bonds (distance) P-C4' energy: -69.811
flat angles C4'-P-C4' energy: -75.641
flat angles P-C4'-P energy: -56.935
tors. eta vs tors. theta energy: -100.517
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: 3, replica: 9
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1173.458656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.458656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.543164 (E_RNA)
where:
Base-Base interactions energy: -826.983
where: short stacking energy: -335.726
Base-Backbone interact. energy: -0.522
local terms energy: -350.038412
where:
bonds (distance) C4'-P energy: -65.410
bonds (distance) P-C4' energy: -66.545
flat angles C4'-P-C4' energy: -71.086
flat angles P-C4'-P energy: -52.131
tors. eta vs tors. theta energy: -94.866
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: 4, replica: 2
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1125.672376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.672376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.946895 (E_RNA)
where:
Base-Base interactions energy: -773.951
where: short stacking energy: -315.808
Base-Backbone interact. energy: -1.561
local terms energy: -354.434778
where:
bonds (distance) C4'-P energy: -68.891
bonds (distance) P-C4' energy: -64.565
flat angles C4'-P-C4' energy: -69.897
flat angles P-C4'-P energy: -60.031
tors. eta vs tors. theta energy: -91.051
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: 5, replica: 7
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1096.754335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.754335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.327598 (E_RNA)
where:
Base-Base interactions energy: -758.835
where: short stacking energy: -324.462
Base-Backbone interact. energy: -1.203
local terms energy: -342.289931
where:
bonds (distance) C4'-P energy: -62.150
bonds (distance) P-C4' energy: -66.619
flat angles C4'-P-C4' energy: -67.747
flat angles P-C4'-P energy: -55.181
tors. eta vs tors. theta energy: -90.594
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: 6, replica: 10
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1013.695758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.695758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.069424 (E_RNA)
where:
Base-Base interactions energy: -715.080
where: short stacking energy: -277.689
Base-Backbone interact. energy: -0.840
local terms energy: -298.149563
where:
bonds (distance) C4'-P energy: -56.320
bonds (distance) P-C4' energy: -65.005
flat angles C4'-P-C4' energy: -58.910
flat angles P-C4'-P energy: -45.394
tors. eta vs tors. theta energy: -72.520
Dist. restrs. and SS energy: 0.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -993.021064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.021064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.436125 (E_RNA)
where:
Base-Base interactions energy: -694.253
where: short stacking energy: -308.362
Base-Backbone interact. energy: -1.869
local terms energy: -303.313757
where:
bonds (distance) C4'-P energy: -54.115
bonds (distance) P-C4' energy: -55.298
flat angles C4'-P-C4' energy: -68.687
flat angles P-C4'-P energy: -35.435
tors. eta vs tors. theta energy: -89.778
Dist. restrs. and SS energy: 6.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -975.154599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.154599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.416971 (E_RNA)
where:
Base-Base interactions energy: -681.822
where: short stacking energy: -275.633
Base-Backbone interact. energy: 0.704
local terms energy: -298.299134
where:
bonds (distance) C4'-P energy: -55.379
bonds (distance) P-C4' energy: -61.085
flat angles C4'-P-C4' energy: -72.735
flat angles P-C4'-P energy: -37.846
tors. eta vs tors. theta energy: -71.254
Dist. restrs. and SS energy: 4.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -876.640701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.640701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.733956 (E_RNA)
where:
Base-Base interactions energy: -630.439
where: short stacking energy: -241.036
Base-Backbone interact. energy: 1.033
local terms energy: -252.327743
where:
bonds (distance) C4'-P energy: -43.238
bonds (distance) P-C4' energy: -48.940
flat angles C4'-P-C4' energy: -59.436
flat angles P-C4'-P energy: -43.517
tors. eta vs tors. theta energy: -57.196
Dist. restrs. and SS energy: 5.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -900.107729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.107729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.674513 (E_RNA)
where:
Base-Base interactions energy: -632.481
where: short stacking energy: -255.450
Base-Backbone interact. energy: 1.356
local terms energy: -274.549454
where:
bonds (distance) C4'-P energy: -50.912
bonds (distance) P-C4' energy: -66.216
flat angles C4'-P-C4' energy: -57.716
flat angles P-C4'-P energy: -36.527
tors. eta vs tors. theta energy: -63.179
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: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1269.977482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.977482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.934423 (E_RNA)
where:
Base-Base interactions energy: -885.823
where: short stacking energy: -351.563
Base-Backbone interact. energy: -2.833
local terms energy: -384.278817
where:
bonds (distance) C4'-P energy: -71.111
bonds (distance) P-C4' energy: -70.456
flat angles C4'-P-C4' energy: -82.319
flat angles P-C4'-P energy: -53.261
tors. eta vs tors. theta energy: -107.131
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: 2, replica: 6
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1194.906644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.906644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.063848 (E_RNA)
where:
Base-Base interactions energy: -833.508
where: short stacking energy: -340.970
Base-Backbone interact. energy: -3.372
local terms energy: -362.183823
where:
bonds (distance) C4'-P energy: -61.162
bonds (distance) P-C4' energy: -76.456
flat angles C4'-P-C4' energy: -77.883
flat angles P-C4'-P energy: -43.692
tors. eta vs tors. theta energy: -102.990
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: 3, replica: 9
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1201.111766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.111766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.862913 (E_RNA)
where:
Base-Base interactions energy: -830.376
where: short stacking energy: -350.078
Base-Backbone interact. energy: -2.479
local terms energy: -372.007728
where:
bonds (distance) C4'-P energy: -69.652
bonds (distance) P-C4' energy: -67.191
flat angles C4'-P-C4' energy: -78.530
flat angles P-C4'-P energy: -53.247
tors. eta vs tors. theta energy: -103.388
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: 2
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1116.575503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.575503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.907759 (E_RNA)
where:
Base-Base interactions energy: -767.884
where: short stacking energy: -318.114
Base-Backbone interact. energy: -0.779
local terms energy: -353.245024
where:
bonds (distance) C4'-P energy: -73.491
bonds (distance) P-C4' energy: -66.903
flat angles C4'-P-C4' energy: -69.538
flat angles P-C4'-P energy: -49.658
tors. eta vs tors. theta energy: -93.656
Dist. restrs. and SS energy: 5.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1076.793090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.793090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.491534 (E_RNA)
where:
Base-Base interactions energy: -742.543
where: short stacking energy: -312.511
Base-Backbone interact. energy: -2.521
local terms energy: -335.428429
where:
bonds (distance) C4'-P energy: -62.533
bonds (distance) P-C4' energy: -71.636
flat angles C4'-P-C4' energy: -61.093
flat angles P-C4'-P energy: -57.391
tors. eta vs tors. theta energy: -82.776
Dist. restrs. and SS energy: 3.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1004.767087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.767087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.010117 (E_RNA)
where:
Base-Base interactions energy: -710.392
where: short stacking energy: -292.248
Base-Backbone interact. energy: -0.671
local terms energy: -301.947322
where:
bonds (distance) C4'-P energy: -58.817
bonds (distance) P-C4' energy: -59.013
flat angles C4'-P-C4' energy: -60.186
flat angles P-C4'-P energy: -47.890
tors. eta vs tors. theta energy: -76.041
Dist. restrs. and SS energy: 8.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1003.023158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.023158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.795132 (E_RNA)
where:
Base-Base interactions energy: -694.367
where: short stacking energy: -264.273
Base-Backbone interact. energy: -1.102
local terms energy: -314.325211
where:
bonds (distance) C4'-P energy: -64.097
bonds (distance) P-C4' energy: -65.002
flat angles C4'-P-C4' energy: -69.809
flat angles P-C4'-P energy: -43.605
tors. eta vs tors. theta energy: -71.812
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: 8, replica: 5
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -940.000787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.000787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.938954 (E_RNA)
where:
Base-Base interactions energy: -670.904
where: short stacking energy: -254.704
Base-Backbone interact. energy: 1.129
local terms energy: -279.163546
where:
bonds (distance) C4'-P energy: -53.567
bonds (distance) P-C4' energy: -58.308
flat angles C4'-P-C4' energy: -68.343
flat angles P-C4'-P energy: -33.962
tors. eta vs tors. theta energy: -64.984
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: 9, replica: 3
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -914.847399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.847399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.429111 (E_RNA)
where:
Base-Base interactions energy: -631.883
where: short stacking energy: -253.700
Base-Backbone interact. energy: 2.715
local terms energy: -289.260429
where:
bonds (distance) C4'-P energy: -51.525
bonds (distance) P-C4' energy: -71.937
flat angles C4'-P-C4' energy: -57.945
flat angles P-C4'-P energy: -46.240
tors. eta vs tors. theta energy: -61.613
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: 10, replica: 1
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -867.111174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.111174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.608319 (E_RNA)
where:
Base-Base interactions energy: -626.068
where: short stacking energy: -246.520
Base-Backbone interact. energy: -0.251
local terms energy: -248.290140
where:
bonds (distance) C4'-P energy: -47.822
bonds (distance) P-C4' energy: -55.552
flat angles C4'-P-C4' energy: -56.530
flat angles P-C4'-P energy: -37.520
tors. eta vs tors. theta energy: -50.867
Dist. restrs. and SS energy: 7.497 (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: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1279.967434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.967434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.458120 (E_RNA)
where:
Base-Base interactions energy: -898.948
where: short stacking energy: -357.408
Base-Backbone interact. energy: 0.039
local terms energy: -384.548753
where:
bonds (distance) C4'-P energy: -66.694
bonds (distance) P-C4' energy: -68.791
flat angles C4'-P-C4' energy: -86.701
flat angles P-C4'-P energy: -57.330
tors. eta vs tors. theta energy: -105.033
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: 2, replica: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1202.367310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.367310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.348227 (E_RNA)
where:
Base-Base interactions energy: -846.039
where: short stacking energy: -335.033
Base-Backbone interact. energy: -0.593
local terms energy: -358.716357
where:
bonds (distance) C4'-P energy: -68.525
bonds (distance) P-C4' energy: -63.672
flat angles C4'-P-C4' energy: -76.972
flat angles P-C4'-P energy: -50.204
tors. eta vs tors. theta energy: -99.345
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: 3, replica: 6
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1182.045258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.045258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.707740 (E_RNA)
where:
Base-Base interactions energy: -831.135
where: short stacking energy: -337.336
Base-Backbone interact. energy: -2.673
local terms energy: -350.898863
where:
bonds (distance) C4'-P energy: -73.523
bonds (distance) P-C4' energy: -63.164
flat angles C4'-P-C4' energy: -68.678
flat angles P-C4'-P energy: -51.110
tors. eta vs tors. theta energy: -94.425
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: 4, replica: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1154.263402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.263402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.605727 (E_RNA)
where:
Base-Base interactions energy: -804.696
where: short stacking energy: -327.488
Base-Backbone interact. energy: -4.269
local terms energy: -347.640466
where:
bonds (distance) C4'-P energy: -68.653
bonds (distance) P-C4' energy: -63.616
flat angles C4'-P-C4' energy: -72.325
flat angles P-C4'-P energy: -55.371
tors. eta vs tors. theta energy: -87.675
Dist. restrs. and SS energy: 2.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1052.325619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.325619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.556421 (E_RNA)
where:
Base-Base interactions energy: -741.731
where: short stacking energy: -322.567
Base-Backbone interact. energy: -1.120
local terms energy: -313.706066
where:
bonds (distance) C4'-P energy: -51.599
bonds (distance) P-C4' energy: -63.595
flat angles C4'-P-C4' energy: -71.188
flat angles P-C4'-P energy: -45.268
tors. eta vs tors. theta energy: -82.056
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: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1013.849381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.849381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.010080 (E_RNA)
where:
Base-Base interactions energy: -700.737
where: short stacking energy: -289.024
Base-Backbone interact. energy: -0.886
local terms energy: -318.387058
where:
bonds (distance) C4'-P energy: -57.532
bonds (distance) P-C4' energy: -68.873
flat angles C4'-P-C4' energy: -70.845
flat angles P-C4'-P energy: -44.410
tors. eta vs tors. theta energy: -76.727
Dist. restrs. and SS energy: 6.161 (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: 7
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -976.430402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.430402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.975998 (E_RNA)
where:
Base-Base interactions energy: -700.146
where: short stacking energy: -290.730
Base-Backbone interact. energy: 2.989
local terms energy: -286.819415
where:
bonds (distance) C4'-P energy: -49.108
bonds (distance) P-C4' energy: -65.071
flat angles C4'-P-C4' energy: -58.143
flat angles P-C4'-P energy: -38.987
tors. eta vs tors. theta energy: -75.510
Dist. restrs. and SS energy: 7.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -933.980414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.980414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.057167 (E_RNA)
where:
Base-Base interactions energy: -669.334
where: short stacking energy: -274.296
Base-Backbone interact. energy: 2.237
local terms energy: -274.960240
where:
bonds (distance) C4'-P energy: -60.592
bonds (distance) P-C4' energy: -55.276
flat angles C4'-P-C4' energy: -58.200
flat angles P-C4'-P energy: -39.434
tors. eta vs tors. theta energy: -61.458
Dist. restrs. and SS energy: 8.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -895.394835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.394835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.949265 (E_RNA)
where:
Base-Base interactions energy: -627.106
where: short stacking energy: -234.458
Base-Backbone interact. energy: 0.134
local terms energy: -275.977493
where:
bonds (distance) C4'-P energy: -50.571
bonds (distance) P-C4' energy: -64.115
flat angles C4'-P-C4' energy: -64.202
flat angles P-C4'-P energy: -38.936
tors. eta vs tors. theta energy: -58.154
Dist. restrs. and SS energy: 7.554 (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: 1
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -876.638565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.638565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.676131 (E_RNA)
where:
Base-Base interactions energy: -605.621
where: short stacking energy: -241.240
Base-Backbone interact. energy: -0.372
local terms energy: -282.682648
where:
bonds (distance) C4'-P energy: -57.944
bonds (distance) P-C4' energy: -58.736
flat angles C4'-P-C4' energy: -71.636
flat angles P-C4'-P energy: -36.545
tors. eta vs tors. theta energy: -57.821
Dist. restrs. and SS energy: 12.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1272.386737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.386737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.710433 (E_RNA)
where:
Base-Base interactions energy: -885.883
where: short stacking energy: -357.775
Base-Backbone interact. energy: -2.093
local terms energy: -386.734732
where:
bonds (distance) C4'-P energy: -70.473
bonds (distance) P-C4' energy: -71.965
flat angles C4'-P-C4' energy: -79.769
flat angles P-C4'-P energy: -57.311
tors. eta vs tors. theta energy: -107.217
Dist. restrs. and SS energy: 2.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1199.141863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.141863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.326431 (E_RNA)
where:
Base-Base interactions energy: -845.731
where: short stacking energy: -333.554
Base-Backbone interact. energy: -0.988
local terms energy: -356.606662
where:
bonds (distance) C4'-P energy: -67.675
bonds (distance) P-C4' energy: -64.978
flat angles C4'-P-C4' energy: -78.322
flat angles P-C4'-P energy: -49.861
tors. eta vs tors. theta energy: -95.771
Dist. restrs. and SS energy: 4.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1209.624653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.624653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.180303 (E_RNA)
where:
Base-Base interactions energy: -853.921
where: short stacking energy: -339.957
Base-Backbone interact. energy: -4.218
local terms energy: -356.040870
where:
bonds (distance) C4'-P energy: -69.307
bonds (distance) P-C4' energy: -67.249
flat angles C4'-P-C4' energy: -70.621
flat angles P-C4'-P energy: -48.735
tors. eta vs tors. theta energy: -100.129
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: 4, replica: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1156.465631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.465631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.644922 (E_RNA)
where:
Base-Base interactions energy: -808.556
where: short stacking energy: -340.103
Base-Backbone interact. energy: -1.595
local terms energy: -349.494331
where:
bonds (distance) C4'-P energy: -63.119
bonds (distance) P-C4' energy: -67.445
flat angles C4'-P-C4' energy: -72.675
flat angles P-C4'-P energy: -52.192
tors. eta vs tors. theta energy: -94.064
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: 10
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1085.377160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.377160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.173031 (E_RNA)
where:
Base-Base interactions energy: -743.238
where: short stacking energy: -321.384
Base-Backbone interact. energy: -1.061
local terms energy: -343.874818
where:
bonds (distance) C4'-P energy: -64.813
bonds (distance) P-C4' energy: -69.662
flat angles C4'-P-C4' energy: -68.337
flat angles P-C4'-P energy: -50.043
tors. eta vs tors. theta energy: -91.019
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: 6, replica: 8
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1040.511190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.511190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.649356 (E_RNA)
where:
Base-Base interactions energy: -707.216
where: short stacking energy: -297.882
Base-Backbone interact. energy: -0.529
local terms energy: -338.904988
where:
bonds (distance) C4'-P energy: -71.015
bonds (distance) P-C4' energy: -60.233
flat angles C4'-P-C4' energy: -67.089
flat angles P-C4'-P energy: -50.258
tors. eta vs tors. theta energy: -90.309
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: 7, replica: 7
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -955.075185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.075185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.583032 (E_RNA)
where:
Base-Base interactions energy: -664.336
where: short stacking energy: -256.507
Base-Backbone interact. energy: -0.921
local terms energy: -291.326362
where:
bonds (distance) C4'-P energy: -49.877
bonds (distance) P-C4' energy: -69.116
flat angles C4'-P-C4' energy: -63.614
flat angles P-C4'-P energy: -45.477
tors. eta vs tors. theta energy: -63.243
Dist. restrs. and SS energy: 1.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -925.505767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.505767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.955195 (E_RNA)
where:
Base-Base interactions energy: -658.495
where: short stacking energy: -260.039
Base-Backbone interact. energy: -1.693
local terms energy: -275.767228
where:
bonds (distance) C4'-P energy: -67.220
bonds (distance) P-C4' energy: -41.671
flat angles C4'-P-C4' energy: -62.191
flat angles P-C4'-P energy: -49.682
tors. eta vs tors. theta energy: -55.002
Dist. restrs. and SS energy: 10.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -924.039554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.039554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.729594 (E_RNA)
where:
Base-Base interactions energy: -642.701
where: short stacking energy: -256.438
Base-Backbone interact. energy: 1.998
local terms energy: -284.026945
where:
bonds (distance) C4'-P energy: -54.967
bonds (distance) P-C4' energy: -62.910
flat angles C4'-P-C4' energy: -45.370
flat angles P-C4'-P energy: -53.812
tors. eta vs tors. theta energy: -66.968
Dist. restrs. and SS energy: 0.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -846.405136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.405136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.409075 (E_RNA)
where:
Base-Base interactions energy: -588.349
where: short stacking energy: -222.665
Base-Backbone interact. energy: 3.644
local terms energy: -264.704576
where:
bonds (distance) C4'-P energy: -58.558
bonds (distance) P-C4' energy: -52.830
flat angles C4'-P-C4' energy: -62.495
flat angles P-C4'-P energy: -35.351
tors. eta vs tors. theta energy: -55.470
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: 1, replica: 4
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1260.643585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.643585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.633582 (E_RNA)
where:
Base-Base interactions energy: -901.345
where: short stacking energy: -363.795
Base-Backbone interact. energy: -0.732
local terms energy: -361.556411
where:
bonds (distance) C4'-P energy: -63.155
bonds (distance) P-C4' energy: -75.695
flat angles C4'-P-C4' energy: -80.061
flat angles P-C4'-P energy: -35.164
tors. eta vs tors. theta energy: -107.482
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: 2, replica: 9
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1207.139817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.139817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.471025 (E_RNA)
where:
Base-Base interactions energy: -843.918
where: short stacking energy: -338.540
Base-Backbone interact. energy: -1.538
local terms energy: -364.015053
where:
bonds (distance) C4'-P energy: -60.427
bonds (distance) P-C4' energy: -70.609
flat angles C4'-P-C4' energy: -79.191
flat angles P-C4'-P energy: -55.433
tors. eta vs tors. theta energy: -98.355
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: 3, replica: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1195.927035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.927035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.088049 (E_RNA)
where:
Base-Base interactions energy: -832.790
where: short stacking energy: -339.176
Base-Backbone interact. energy: -0.478
local terms energy: -364.819817
where:
bonds (distance) C4'-P energy: -65.241
bonds (distance) P-C4' energy: -59.139
flat angles C4'-P-C4' energy: -84.318
flat angles P-C4'-P energy: -57.204
tors. eta vs tors. theta energy: -98.919
Dist. restrs. and SS energy: 2.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1120.264761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.264761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.271126 (E_RNA)
where:
Base-Base interactions energy: -800.011
where: short stacking energy: -329.872
Base-Backbone interact. energy: -1.832
local terms energy: -324.427818
where:
bonds (distance) C4'-P energy: -57.025
bonds (distance) P-C4' energy: -66.446
flat angles C4'-P-C4' energy: -67.649
flat angles P-C4'-P energy: -40.553
tors. eta vs tors. theta energy: -92.754
Dist. restrs. and SS energy: 6.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1067.009117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.009117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.584105 (E_RNA)
where:
Base-Base interactions energy: -744.473
where: short stacking energy: -299.414
Base-Backbone interact. energy: -0.297
local terms energy: -325.814198
where:
bonds (distance) C4'-P energy: -65.377
bonds (distance) P-C4' energy: -60.888
flat angles C4'-P-C4' energy: -68.319
flat angles P-C4'-P energy: -48.446
tors. eta vs tors. theta energy: -82.785
Dist. restrs. and SS energy: 3.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1023.445001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.445001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.735699 (E_RNA)
where:
Base-Base interactions energy: -705.705
where: short stacking energy: -292.194
Base-Backbone interact. energy: -2.116
local terms energy: -321.915408
where:
bonds (distance) C4'-P energy: -49.004
bonds (distance) P-C4' energy: -65.076
flat angles C4'-P-C4' energy: -67.815
flat angles P-C4'-P energy: -49.506
tors. eta vs tors. theta energy: -90.514
Dist. restrs. and SS energy: 6.291 (S_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: 409
Temperature: 1.200000
Total energy: -977.706440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.706440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.597677 (E_RNA)
where:
Base-Base interactions energy: -677.480
where: short stacking energy: -278.419
Base-Backbone interact. energy: -0.582
local terms energy: -300.536191
where:
bonds (distance) C4'-P energy: -57.982
bonds (distance) P-C4' energy: -54.177
flat angles C4'-P-C4' energy: -69.108
flat angles P-C4'-P energy: -46.260
tors. eta vs tors. theta energy: -73.009
Dist. restrs. and SS energy: 0.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -935.569339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.569339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.759920 (E_RNA)
where:
Base-Base interactions energy: -653.542
where: short stacking energy: -252.720
Base-Backbone interact. energy: -0.766
local terms energy: -282.451266
where:
bonds (distance) C4'-P energy: -71.826
bonds (distance) P-C4' energy: -58.632
flat angles C4'-P-C4' energy: -59.624
flat angles P-C4'-P energy: -36.499
tors. eta vs tors. theta energy: -55.871
Dist. restrs. and SS energy: 1.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -883.443962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.443962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.424661 (E_RNA)
where:
Base-Base interactions energy: -611.503
where: short stacking energy: -222.889
Base-Backbone interact. energy: 0.783
local terms energy: -275.704752
where:
bonds (distance) C4'-P energy: -53.108
bonds (distance) P-C4' energy: -56.637
flat angles C4'-P-C4' energy: -53.429
flat angles P-C4'-P energy: -45.609
tors. eta vs tors. theta energy: -66.921
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: 10, replica: 3
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -863.450606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.450606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.190148 (E_RNA)
where:
Base-Base interactions energy: -607.421
where: short stacking energy: -241.514
Base-Backbone interact. energy: 1.053
local terms energy: -268.821641
where:
bonds (distance) C4'-P energy: -61.272
bonds (distance) P-C4' energy: -57.935
flat angles C4'-P-C4' energy: -55.431
flat angles P-C4'-P energy: -35.077
tors. eta vs tors. theta energy: -59.106
Dist. restrs. and SS energy: 11.740 (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: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1283.381518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.381518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.098042 (E_RNA)
where:
Base-Base interactions energy: -912.765
where: short stacking energy: -373.857
Base-Backbone interact. energy: -1.738
local terms energy: -372.595644
where:
bonds (distance) C4'-P energy: -64.636
bonds (distance) P-C4' energy: -60.800
flat angles C4'-P-C4' energy: -82.303
flat angles P-C4'-P energy: -51.578
tors. eta vs tors. theta energy: -113.278
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: 2, replica: 9
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1197.491288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.491288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.034072 (E_RNA)
where:
Base-Base interactions energy: -833.692
where: short stacking energy: -340.474
Base-Backbone interact. energy: 0.524
local terms energy: -367.865642
where:
bonds (distance) C4'-P energy: -72.157
bonds (distance) P-C4' energy: -71.150
flat angles C4'-P-C4' energy: -74.824
flat angles P-C4'-P energy: -50.697
tors. eta vs tors. theta energy: -99.037
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: 3, replica: 6
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1178.360270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.360270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.985978 (E_RNA)
where:
Base-Base interactions energy: -813.813
where: short stacking energy: -327.895
Base-Backbone interact. energy: -3.807
local terms energy: -364.365642
where:
bonds (distance) C4'-P energy: -70.963
bonds (distance) P-C4' energy: -70.072
flat angles C4'-P-C4' energy: -70.021
flat angles P-C4'-P energy: -46.643
tors. eta vs tors. theta energy: -106.667
Dist. restrs. and SS energy: 3.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1140.611205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.611205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.983066 (E_RNA)
where:
Base-Base interactions energy: -784.825
where: short stacking energy: -320.683
Base-Backbone interact. energy: -1.403
local terms energy: -357.755392
where:
bonds (distance) C4'-P energy: -71.572
bonds (distance) P-C4' energy: -65.328
flat angles C4'-P-C4' energy: -67.884
flat angles P-C4'-P energy: -56.173
tors. eta vs tors. theta energy: -96.797
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: 10
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1050.827082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.827082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.901988 (E_RNA)
where:
Base-Base interactions energy: -724.959
where: short stacking energy: -306.645
Base-Backbone interact. energy: 2.410
local terms energy: -332.352810
where:
bonds (distance) C4'-P energy: -66.822
bonds (distance) P-C4' energy: -62.282
flat angles C4'-P-C4' energy: -66.536
flat angles P-C4'-P energy: -49.777
tors. eta vs tors. theta energy: -86.937
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: 8
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -995.905877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.905877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.460353 (E_RNA)
where:
Base-Base interactions energy: -694.411
where: short stacking energy: -277.978
Base-Backbone interact. energy: -2.203
local terms energy: -306.845994
where:
bonds (distance) C4'-P energy: -50.165
bonds (distance) P-C4' energy: -64.873
flat angles C4'-P-C4' energy: -73.576
flat angles P-C4'-P energy: -36.054
tors. eta vs tors. theta energy: -82.177
Dist. restrs. and SS energy: 7.554 (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: 7
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -981.410951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.410951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.264672 (E_RNA)
where:
Base-Base interactions energy: -703.168
where: short stacking energy: -271.969
Base-Backbone interact. energy: -0.752
local terms energy: -281.345275
where:
bonds (distance) C4'-P energy: -56.240
bonds (distance) P-C4' energy: -60.662
flat angles C4'-P-C4' energy: -55.738
flat angles P-C4'-P energy: -44.365
tors. eta vs tors. theta energy: -64.340
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: 8, replica: 1
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -937.360611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.360611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.557440 (E_RNA)
where:
Base-Base interactions energy: -685.839
where: short stacking energy: -268.774
Base-Backbone interact. energy: 0.644
local terms energy: -260.362028
where:
bonds (distance) C4'-P energy: -60.282
bonds (distance) P-C4' energy: -49.616
flat angles C4'-P-C4' energy: -55.629
flat angles P-C4'-P energy: -28.070
tors. eta vs tors. theta energy: -66.765
Dist. restrs. and SS energy: 8.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -925.830641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.830641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.936499 (E_RNA)
where:
Base-Base interactions energy: -643.704
where: short stacking energy: -255.413
Base-Backbone interact. energy: 1.055
local terms energy: -288.288139
where:
bonds (distance) C4'-P energy: -59.377
bonds (distance) P-C4' energy: -65.910
flat angles C4'-P-C4' energy: -62.283
flat angles P-C4'-P energy: -44.503
tors. eta vs tors. theta energy: -56.215
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: 3
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -873.824922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.824922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.478143 (E_RNA)
where:
Base-Base interactions energy: -612.060
where: short stacking energy: -247.112
Base-Backbone interact. energy: -1.599
local terms energy: -269.819475
where:
bonds (distance) C4'-P energy: -61.922
bonds (distance) P-C4' energy: -55.285
flat angles C4'-P-C4' energy: -47.364
flat angles P-C4'-P energy: -51.747
tors. eta vs tors. theta energy: -53.502
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: 1, replica: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1286.460324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.460324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.309817 (E_RNA)
where:
Base-Base interactions energy: -915.244
where: short stacking energy: -363.401
Base-Backbone interact. energy: -2.098
local terms energy: -371.968042
where:
bonds (distance) C4'-P energy: -56.773
bonds (distance) P-C4' energy: -74.346
flat angles C4'-P-C4' energy: -76.194
flat angles P-C4'-P energy: -52.009
tors. eta vs tors. theta energy: -112.646
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: 9
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1203.748575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.748575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.595758 (E_RNA)
where:
Base-Base interactions energy: -840.784
where: short stacking energy: -350.368
Base-Backbone interact. energy: -1.959
local terms energy: -364.852559
where:
bonds (distance) C4'-P energy: -70.981
bonds (distance) P-C4' energy: -72.708
flat angles C4'-P-C4' energy: -78.279
flat angles P-C4'-P energy: -46.815
tors. eta vs tors. theta energy: -96.070
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: 3, replica: 6
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1189.355557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.355557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.899780 (E_RNA)
where:
Base-Base interactions energy: -836.908
where: short stacking energy: -334.993
Base-Backbone interact. energy: -0.330
local terms energy: -356.661201
where:
bonds (distance) C4'-P energy: -68.548
bonds (distance) P-C4' energy: -62.760
flat angles C4'-P-C4' energy: -79.911
flat angles P-C4'-P energy: -54.344
tors. eta vs tors. theta energy: -91.098
Dist. restrs. and SS energy: 4.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1124.268545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.268545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.594589 (E_RNA)
where:
Base-Base interactions energy: -780.937
where: short stacking energy: -302.764
Base-Backbone interact. energy: 0.703
local terms energy: -348.361138
where:
bonds (distance) C4'-P energy: -65.248
bonds (distance) P-C4' energy: -77.251
flat angles C4'-P-C4' energy: -76.336
flat angles P-C4'-P energy: -46.771
tors. eta vs tors. theta energy: -82.756
Dist. restrs. and SS energy: 4.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1066.061462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.061462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.383858 (E_RNA)
where:
Base-Base interactions energy: -750.195
where: short stacking energy: -301.743
Base-Backbone interact. energy: -0.913
local terms energy: -324.276373
where:
bonds (distance) C4'-P energy: -57.117
bonds (distance) P-C4' energy: -71.811
flat angles C4'-P-C4' energy: -70.372
flat angles P-C4'-P energy: -50.680
tors. eta vs tors. theta energy: -74.296
Dist. restrs. and SS energy: 9.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1015.977553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.977553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.336960 (E_RNA)
where:
Base-Base interactions energy: -690.471
where: short stacking energy: -278.574
Base-Backbone interact. energy: -1.087
local terms energy: -327.778990
where:
bonds (distance) C4'-P energy: -60.173
bonds (distance) P-C4' energy: -68.371
flat angles C4'-P-C4' energy: -74.263
flat angles P-C4'-P energy: -43.807
tors. eta vs tors. theta energy: -81.166
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: 7, replica: 7
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1010.318009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.318009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.183401 (E_RNA)
where:
Base-Base interactions energy: -711.586
where: short stacking energy: -278.163
Base-Backbone interact. energy: -0.868
local terms energy: -301.729600
where:
bonds (distance) C4'-P energy: -47.068
bonds (distance) P-C4' energy: -66.947
flat angles C4'-P-C4' energy: -68.244
flat angles P-C4'-P energy: -44.931
tors. eta vs tors. theta energy: -74.539
Dist. restrs. and SS energy: 3.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -950.249853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.249853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.498362 (E_RNA)
where:
Base-Base interactions energy: -641.333
where: short stacking energy: -246.448
Base-Backbone interact. energy: -1.678
local terms energy: -310.487545
where:
bonds (distance) C4'-P energy: -66.650
bonds (distance) P-C4' energy: -66.310
flat angles C4'-P-C4' energy: -67.030
flat angles P-C4'-P energy: -46.857
tors. eta vs tors. theta energy: -63.639
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: 9, replica: 1
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -921.681492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.681492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.100536 (E_RNA)
where:
Base-Base interactions energy: -633.598
where: short stacking energy: -267.821
Base-Backbone interact. energy: 0.939
local terms energy: -291.440887
where:
bonds (distance) C4'-P energy: -57.852
bonds (distance) P-C4' energy: -43.842
flat angles C4'-P-C4' energy: -67.238
flat angles P-C4'-P energy: -53.068
tors. eta vs tors. theta energy: -69.441
Dist. restrs. and SS energy: 2.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -856.957362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.957362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.689951 (E_RNA)
where:
Base-Base interactions energy: -580.602
where: short stacking energy: -235.053
Base-Backbone interact. energy: -1.121
local terms energy: -277.966566
where:
bonds (distance) C4'-P energy: -47.530
bonds (distance) P-C4' energy: -53.993
flat angles C4'-P-C4' energy: -69.805
flat angles P-C4'-P energy: -38.897
tors. eta vs tors. theta energy: -67.742
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: 1, replica: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1270.445877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.445877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.720662 (E_RNA)
where:
Base-Base interactions energy: -908.096
where: short stacking energy: -363.198
Base-Backbone interact. energy: 0.759
local terms energy: -366.383615
where:
bonds (distance) C4'-P energy: -57.459
bonds (distance) P-C4' energy: -71.056
flat angles C4'-P-C4' energy: -79.452
flat angles P-C4'-P energy: -54.282
tors. eta vs tors. theta energy: -104.134
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: 9
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1185.653675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.653675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.932444 (E_RNA)
where:
Base-Base interactions energy: -818.230
where: short stacking energy: -347.205
Base-Backbone interact. energy: -1.200
local terms energy: -370.501760
where:
bonds (distance) C4'-P energy: -66.775
bonds (distance) P-C4' energy: -68.622
flat angles C4'-P-C4' energy: -81.258
flat angles P-C4'-P energy: -53.960
tors. eta vs tors. theta energy: -99.887
Dist. restrs. and SS energy: 4.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1180.711934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.711934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.493225 (E_RNA)
where:
Base-Base interactions energy: -812.211
where: short stacking energy: -324.363
Base-Backbone interact. energy: -2.971
local terms energy: -369.311052
where:
bonds (distance) C4'-P energy: -70.174
bonds (distance) P-C4' energy: -66.138
flat angles C4'-P-C4' energy: -75.944
flat angles P-C4'-P energy: -54.311
tors. eta vs tors. theta energy: -102.744
Dist. restrs. and SS energy: 3.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1128.042743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.042743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.807704 (E_RNA)
where:
Base-Base interactions energy: -780.055
where: short stacking energy: -316.079
Base-Backbone interact. energy: -2.041
local terms energy: -349.712124
where:
bonds (distance) C4'-P energy: -69.829
bonds (distance) P-C4' energy: -64.781
flat angles C4'-P-C4' energy: -73.306
flat angles P-C4'-P energy: -52.420
tors. eta vs tors. theta energy: -89.376
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: 5, replica: 8
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1077.165000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.165000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.413455 (E_RNA)
where:
Base-Base interactions energy: -762.316
where: short stacking energy: -321.143
Base-Backbone interact. energy: -0.233
local terms energy: -314.864344
where:
bonds (distance) C4'-P energy: -53.345
bonds (distance) P-C4' energy: -53.923
flat angles C4'-P-C4' energy: -75.980
flat angles P-C4'-P energy: -45.916
tors. eta vs tors. theta energy: -85.700
Dist. restrs. and SS energy: 0.248 (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: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1049.104592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.104592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.480541 (E_RNA)
where:
Base-Base interactions energy: -727.279
where: short stacking energy: -300.466
Base-Backbone interact. energy: -0.904
local terms energy: -324.296912
where:
bonds (distance) C4'-P energy: -53.900
bonds (distance) P-C4' energy: -75.317
flat angles C4'-P-C4' energy: -69.430
flat angles P-C4'-P energy: -45.087
tors. eta vs tors. theta energy: -80.563
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: 7, replica: 7
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -986.639743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.639743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.206216 (E_RNA)
where:
Base-Base interactions energy: -693.269
where: short stacking energy: -278.058
Base-Backbone interact. energy: 2.896
local terms energy: -298.832819
where:
bonds (distance) C4'-P energy: -67.447
bonds (distance) P-C4' energy: -49.575
flat angles C4'-P-C4' energy: -68.660
flat angles P-C4'-P energy: -46.364
tors. eta vs tors. theta energy: -66.787
Dist. restrs. and SS energy: 2.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -927.613633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.613633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.918570 (E_RNA)
where:
Base-Base interactions energy: -658.168
where: short stacking energy: -238.492
Base-Backbone interact. energy: 2.624
local terms energy: -275.374757
where:
bonds (distance) C4'-P energy: -44.210
bonds (distance) P-C4' energy: -61.149
flat angles C4'-P-C4' energy: -59.576
flat angles P-C4'-P energy: -46.236
tors. eta vs tors. theta energy: -64.204
Dist. restrs. and SS energy: 3.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -915.349286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.349286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.056958 (E_RNA)
where:
Base-Base interactions energy: -651.849
where: short stacking energy: -260.181
Base-Backbone interact. energy: -0.941
local terms energy: -264.266686
where:
bonds (distance) C4'-P energy: -40.216
bonds (distance) P-C4' energy: -52.516
flat angles C4'-P-C4' energy: -53.903
flat angles P-C4'-P energy: -51.793
tors. eta vs tors. theta energy: -65.838
Dist. restrs. and SS energy: 1.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -850.774317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.774317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.487991 (E_RNA)
where:
Base-Base interactions energy: -597.519
where: short stacking energy: -240.780
Base-Backbone interact. energy: -1.586
local terms energy: -256.382624
where:
bonds (distance) C4'-P energy: -43.553
bonds (distance) P-C4' energy: -62.140
flat angles C4'-P-C4' energy: -55.367
flat angles P-C4'-P energy: -39.468
tors. eta vs tors. theta energy: -55.854
Dist. restrs. and SS energy: 4.714 (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: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1275.741608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.741608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.308930 (E_RNA)
where:
Base-Base interactions energy: -897.671
where: short stacking energy: -370.354
Base-Backbone interact. energy: -1.161
local terms energy: -380.476857
where:
bonds (distance) C4'-P energy: -70.321
bonds (distance) P-C4' energy: -69.230
flat angles C4'-P-C4' energy: -75.928
flat angles P-C4'-P energy: -58.901
tors. eta vs tors. theta energy: -106.096
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: 2, replica: 6
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1216.900815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.900815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.529755 (E_RNA)
where:
Base-Base interactions energy: -857.250
where: short stacking energy: -350.524
Base-Backbone interact. energy: -1.097
local terms energy: -362.182533
where:
bonds (distance) C4'-P energy: -62.187
bonds (distance) P-C4' energy: -64.605
flat angles C4'-P-C4' energy: -81.964
flat angles P-C4'-P energy: -52.534
tors. eta vs tors. theta energy: -100.892
Dist. restrs. and SS energy: 3.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1175.441427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.441427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.962961 (E_RNA)
where:
Base-Base interactions energy: -816.254
where: short stacking energy: -332.514
Base-Backbone interact. energy: -2.101
local terms energy: -360.608229
where:
bonds (distance) C4'-P energy: -65.166
bonds (distance) P-C4' energy: -71.969
flat angles C4'-P-C4' energy: -68.984
flat angles P-C4'-P energy: -55.813
tors. eta vs tors. theta energy: -98.677
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: 4, replica: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1132.131748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.131748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.802505 (E_RNA)
where:
Base-Base interactions energy: -813.576
where: short stacking energy: -339.788
Base-Backbone interact. energy: -1.825
local terms energy: -322.402100
where:
bonds (distance) C4'-P energy: -51.403
bonds (distance) P-C4' energy: -60.738
flat angles C4'-P-C4' energy: -72.585
flat angles P-C4'-P energy: -43.846
tors. eta vs tors. theta energy: -93.831
Dist. restrs. and SS energy: 5.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1074.032817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.032817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.324585 (E_RNA)
where:
Base-Base interactions energy: -745.719
where: short stacking energy: -312.190
Base-Backbone interact. energy: -0.928
local terms energy: -330.677161
where:
bonds (distance) C4'-P energy: -52.568
bonds (distance) P-C4' energy: -66.041
flat angles C4'-P-C4' energy: -75.923
flat angles P-C4'-P energy: -43.446
tors. eta vs tors. theta energy: -92.700
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: 6, replica: 10
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1051.849533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.849533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.332684 (E_RNA)
where:
Base-Base interactions energy: -738.957
where: short stacking energy: -293.443
Base-Backbone interact. energy: -0.531
local terms energy: -316.844293
where:
bonds (distance) C4'-P energy: -46.567
bonds (distance) P-C4' energy: -68.251
flat angles C4'-P-C4' energy: -67.754
flat angles P-C4'-P energy: -48.342
tors. eta vs tors. theta energy: -85.930
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: 7, replica: 7
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1027.105025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.105025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.037109 (E_RNA)
where:
Base-Base interactions energy: -696.343
where: short stacking energy: -270.184
Base-Backbone interact. energy: -2.615
local terms energy: -332.079235
where:
bonds (distance) C4'-P energy: -67.558
bonds (distance) P-C4' energy: -75.037
flat angles C4'-P-C4' energy: -67.521
flat angles P-C4'-P energy: -46.957
tors. eta vs tors. theta energy: -75.005
Dist. restrs. and SS energy: 3.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -938.848460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.848460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.259359 (E_RNA)
where:
Base-Base interactions energy: -650.431
where: short stacking energy: -271.438
Base-Backbone interact. energy: -6.753
local terms energy: -288.074909
where:
bonds (distance) C4'-P energy: -61.268
bonds (distance) P-C4' energy: -63.169
flat angles C4'-P-C4' energy: -68.169
flat angles P-C4'-P energy: -35.290
tors. eta vs tors. theta energy: -60.179
Dist. restrs. and SS energy: 6.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -898.216942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.216942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.141747 (E_RNA)
where:
Base-Base interactions energy: -614.397
where: short stacking energy: -251.947
Base-Backbone interact. energy: 0.796
local terms energy: -290.540893
where:
bonds (distance) C4'-P energy: -64.055
bonds (distance) P-C4' energy: -68.879
flat angles C4'-P-C4' energy: -53.788
flat angles P-C4'-P energy: -43.161
tors. eta vs tors. theta energy: -60.658
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: 10, replica: 3
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -852.391763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.391763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.293420 (E_RNA)
where:
Base-Base interactions energy: -594.549
where: short stacking energy: -229.477
Base-Backbone interact. energy: -0.524
local terms energy: -262.219840
where:
bonds (distance) C4'-P energy: -51.323
bonds (distance) P-C4' energy: -65.106
flat angles C4'-P-C4' energy: -66.582
flat angles P-C4'-P energy: -32.317
tors. eta vs tors. theta energy: -46.891
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: 1, replica: 4
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1278.603690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.603690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.526537 (E_RNA)
where:
Base-Base interactions energy: -898.421
where: short stacking energy: -358.695
Base-Backbone interact. energy: -2.239
local terms energy: -380.866601
where:
bonds (distance) C4'-P energy: -67.155
bonds (distance) P-C4' energy: -67.635
flat angles C4'-P-C4' energy: -82.695
flat angles P-C4'-P energy: -57.787
tors. eta vs tors. theta energy: -105.595
Dist. restrs. and SS energy: 2.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1217.988970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.988970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.679575 (E_RNA)
where:
Base-Base interactions energy: -843.798
where: short stacking energy: -344.503
Base-Backbone interact. energy: -2.560
local terms energy: -375.320763
where:
bonds (distance) C4'-P energy: -70.457
bonds (distance) P-C4' energy: -69.120
flat angles C4'-P-C4' energy: -73.424
flat angles P-C4'-P energy: -54.928
tors. eta vs tors. theta energy: -107.392
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: 3, replica: 2
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1151.094938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.094938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.506886 (E_RNA)
where:
Base-Base interactions energy: -788.512
where: short stacking energy: -325.127
Base-Backbone interact. energy: -1.708
local terms energy: -364.287110
where:
bonds (distance) C4'-P energy: -68.653
bonds (distance) P-C4' energy: -71.952
flat angles C4'-P-C4' energy: -75.590
flat angles P-C4'-P energy: -48.949
tors. eta vs tors. theta energy: -99.143
Dist. restrs. and SS energy: 3.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1144.001280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.001280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.040304 (E_RNA)
where:
Base-Base interactions energy: -792.702
where: short stacking energy: -339.848
Base-Backbone interact. energy: -2.053
local terms energy: -353.285821
where:
bonds (distance) C4'-P energy: -64.008
bonds (distance) P-C4' energy: -69.470
flat angles C4'-P-C4' energy: -74.721
flat angles P-C4'-P energy: -55.232
tors. eta vs tors. theta energy: -89.855
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: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1051.021525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.021525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.111609 (E_RNA)
where:
Base-Base interactions energy: -725.587
where: short stacking energy: -294.670
Base-Backbone interact. energy: 2.018
local terms energy: -331.542288
where:
bonds (distance) C4'-P energy: -72.368
bonds (distance) P-C4' energy: -67.507
flat angles C4'-P-C4' energy: -77.351
flat angles P-C4'-P energy: -39.958
tors. eta vs tors. theta energy: -74.358
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: 6, replica: 10
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1024.467590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.467590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.475000 (E_RNA)
where:
Base-Base interactions energy: -709.250
where: short stacking energy: -299.605
Base-Backbone interact. energy: -0.471
local terms energy: -317.753979
where:
bonds (distance) C4'-P energy: -60.719
bonds (distance) P-C4' energy: -71.594
flat angles C4'-P-C4' energy: -64.982
flat angles P-C4'-P energy: -47.101
tors. eta vs tors. theta energy: -73.359
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: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -953.858948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.858948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.355823 (E_RNA)
where:
Base-Base interactions energy: -697.591
where: short stacking energy: -280.103
Base-Backbone interact. energy: -1.497
local terms energy: -264.267351
where:
bonds (distance) C4'-P energy: -51.366
bonds (distance) P-C4' energy: -55.949
flat angles C4'-P-C4' energy: -60.334
flat angles P-C4'-P energy: -31.042
tors. eta vs tors. theta energy: -65.577
Dist. restrs. and SS energy: 9.497 (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: 7
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -983.109677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.109677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.066424 (E_RNA)
where:
Base-Base interactions energy: -685.851
where: short stacking energy: -272.234
Base-Backbone interact. energy: -0.601
local terms energy: -303.613999
where:
bonds (distance) C4'-P energy: -48.827
bonds (distance) P-C4' energy: -65.810
flat angles C4'-P-C4' energy: -76.702
flat angles P-C4'-P energy: -38.588
tors. eta vs tors. theta energy: -73.687
Dist. restrs. and SS energy: 6.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -908.745655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.745655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.126404 (E_RNA)
where:
Base-Base interactions energy: -632.017
where: short stacking energy: -255.317
Base-Backbone interact. energy: -0.655
local terms energy: -278.455169
where:
bonds (distance) C4'-P energy: -64.709
bonds (distance) P-C4' energy: -58.218
flat angles C4'-P-C4' energy: -46.273
flat angles P-C4'-P energy: -49.994
tors. eta vs tors. theta energy: -59.261
Dist. restrs. and SS energy: 2.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -834.544064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.544064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.683737 (E_RNA)
where:
Base-Base interactions energy: -579.180
where: short stacking energy: -214.712
Base-Backbone interact. energy: -1.117
local terms energy: -255.386102
where:
bonds (distance) C4'-P energy: -59.866
bonds (distance) P-C4' energy: -61.271
flat angles C4'-P-C4' energy: -52.529
flat angles P-C4'-P energy: -30.855
tors. eta vs tors. theta energy: -50.865
Dist. restrs. and SS energy: 1.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1290.353005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.353005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.367161 (E_RNA)
where:
Base-Base interactions energy: -888.215
where: short stacking energy: -367.111
Base-Backbone interact. energy: -4.096
local terms energy: -402.056586
where:
bonds (distance) C4'-P energy: -74.112
bonds (distance) P-C4' energy: -80.236
flat angles C4'-P-C4' energy: -81.208
flat angles P-C4'-P energy: -56.093
tors. eta vs tors. theta energy: -110.408
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: 2, replica: 6
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1202.618770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.618770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.621281 (E_RNA)
where:
Base-Base interactions energy: -841.856
where: short stacking energy: -347.857
Base-Backbone interact. energy: -0.818
local terms energy: -363.947142
where:
bonds (distance) C4'-P energy: -64.838
bonds (distance) P-C4' energy: -73.578
flat angles C4'-P-C4' energy: -73.240
flat angles P-C4'-P energy: -44.285
tors. eta vs tors. theta energy: -108.007
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: 3, replica: 2
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1156.558529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.558529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.947184 (E_RNA)
where:
Base-Base interactions energy: -807.844
where: short stacking energy: -330.368
Base-Backbone interact. energy: -1.087
local terms energy: -351.016049
where:
bonds (distance) C4'-P energy: -62.748
bonds (distance) P-C4' energy: -68.567
flat angles C4'-P-C4' energy: -69.776
flat angles P-C4'-P energy: -52.842
tors. eta vs tors. theta energy: -97.083
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: 9
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1159.348640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.348640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.546672 (E_RNA)
where:
Base-Base interactions energy: -815.573
where: short stacking energy: -328.121
Base-Backbone interact. energy: -1.372
local terms energy: -344.600830
where:
bonds (distance) C4'-P energy: -59.971
bonds (distance) P-C4' energy: -69.502
flat angles C4'-P-C4' energy: -74.800
flat angles P-C4'-P energy: -58.653
tors. eta vs tors. theta energy: -81.675
Dist. restrs. and SS energy: 2.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1052.659806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.659806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.822564 (E_RNA)
where:
Base-Base interactions energy: -715.558
where: short stacking energy: -299.453
Base-Backbone interact. energy: -0.702
local terms energy: -341.562825
where:
bonds (distance) C4'-P energy: -69.707
bonds (distance) P-C4' energy: -73.554
flat angles C4'-P-C4' energy: -76.813
flat angles P-C4'-P energy: -44.266
tors. eta vs tors. theta energy: -77.221
Dist. restrs. and SS energy: 5.163 (S_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: 415
Temperature: 1.150000
Total energy: -1031.979208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.979208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.001690 (E_RNA)
where:
Base-Base interactions energy: -715.654
where: short stacking energy: -291.718
Base-Backbone interact. energy: -0.021
local terms energy: -319.325941
where:
bonds (distance) C4'-P energy: -57.983
bonds (distance) P-C4' energy: -62.154
flat angles C4'-P-C4' energy: -73.616
flat angles P-C4'-P energy: -51.865
tors. eta vs tors. theta energy: -73.708
Dist. restrs. and SS energy: 3.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -958.602845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.602845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.404182 (E_RNA)
where:
Base-Base interactions energy: -662.885
where: short stacking energy: -265.814
Base-Backbone interact. energy: 3.560
local terms energy: -303.079316
where:
bonds (distance) C4'-P energy: -62.236
bonds (distance) P-C4' energy: -60.131
flat angles C4'-P-C4' energy: -66.467
flat angles P-C4'-P energy: -49.022
tors. eta vs tors. theta energy: -65.223
Dist. restrs. and SS energy: 3.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -979.788533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.788533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.926482 (E_RNA)
where:
Base-Base interactions energy: -670.209
where: short stacking energy: -272.287
Base-Backbone interact. energy: -2.517
local terms energy: -314.200004
where:
bonds (distance) C4'-P energy: -55.782
bonds (distance) P-C4' energy: -58.915
flat angles C4'-P-C4' energy: -66.779
flat angles P-C4'-P energy: -52.237
tors. eta vs tors. theta energy: -80.488
Dist. restrs. and SS energy: 7.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -902.175212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.175212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.513703 (E_RNA)
where:
Base-Base interactions energy: -639.201
where: short stacking energy: -241.821
Base-Backbone interact. energy: 4.072
local terms energy: -271.385173
where:
bonds (distance) C4'-P energy: -64.483
bonds (distance) P-C4' energy: -43.670
flat angles C4'-P-C4' energy: -66.982
flat angles P-C4'-P energy: -37.674
tors. eta vs tors. theta energy: -58.576
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: 10, replica: 3
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -843.245098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.245098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.550448 (E_RNA)
where:
Base-Base interactions energy: -601.974
where: short stacking energy: -231.507
Base-Backbone interact. energy: -2.452
local terms energy: -248.124141
where:
bonds (distance) C4'-P energy: -65.582
bonds (distance) P-C4' energy: -51.844
flat angles C4'-P-C4' energy: -51.347
flat angles P-C4'-P energy: -43.005
tors. eta vs tors. theta energy: -36.345
Dist. restrs. and SS energy: 9.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1272.050405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.050405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.491915 (E_RNA)
where:
Base-Base interactions energy: -886.213
where: short stacking energy: -364.848
Base-Backbone interact. energy: -1.053
local terms energy: -387.226345
where:
bonds (distance) C4'-P energy: -66.074
bonds (distance) P-C4' energy: -76.229
flat angles C4'-P-C4' energy: -82.098
flat angles P-C4'-P energy: -56.242
tors. eta vs tors. theta energy: -106.584
Dist. restrs. and SS energy: 2.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1205.324799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.324799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.019464 (E_RNA)
where:
Base-Base interactions energy: -841.453
where: short stacking energy: -356.833
Base-Backbone interact. energy: -2.765
local terms energy: -364.800826
where:
bonds (distance) C4'-P energy: -61.386
bonds (distance) P-C4' energy: -61.229
flat angles C4'-P-C4' energy: -84.754
flat angles P-C4'-P energy: -57.884
tors. eta vs tors. theta energy: -99.547
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: 3, replica: 9
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1174.240289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.240289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.676999 (E_RNA)
where:
Base-Base interactions energy: -808.859
where: short stacking energy: -320.660
Base-Backbone interact. energy: -3.601
local terms energy: -366.217014
where:
bonds (distance) C4'-P energy: -64.457
bonds (distance) P-C4' energy: -73.274
flat angles C4'-P-C4' energy: -78.477
flat angles P-C4'-P energy: -58.888
tors. eta vs tors. theta energy: -91.120
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: 4, replica: 2
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1128.532077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.532077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.863306 (E_RNA)
where:
Base-Base interactions energy: -780.591
where: short stacking energy: -317.502
Base-Backbone interact. energy: -0.595
local terms energy: -353.677459
where:
bonds (distance) C4'-P energy: -66.471
bonds (distance) P-C4' energy: -74.423
flat angles C4'-P-C4' energy: -76.485
flat angles P-C4'-P energy: -38.861
tors. eta vs tors. theta energy: -97.438
Dist. restrs. and SS energy: 6.331 (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: 8
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1058.678783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.678783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.753166 (E_RNA)
where:
Base-Base interactions energy: -732.798
where: short stacking energy: -298.020
Base-Backbone interact. energy: 0.056
local terms energy: -332.010842
where:
bonds (distance) C4'-P energy: -62.605
bonds (distance) P-C4' energy: -63.390
flat angles C4'-P-C4' energy: -73.670
flat angles P-C4'-P energy: -43.974
tors. eta vs tors. theta energy: -88.372
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: 6, replica: 10
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1027.222290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.222290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.301129 (E_RNA)
where:
Base-Base interactions energy: -712.519
where: short stacking energy: -297.199
Base-Backbone interact. energy: -1.073
local terms energy: -318.708971
where:
bonds (distance) C4'-P energy: -63.115
bonds (distance) P-C4' energy: -56.855
flat angles C4'-P-C4' energy: -72.434
flat angles P-C4'-P energy: -51.471
tors. eta vs tors. theta energy: -74.833
Dist. restrs. and SS energy: 5.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1020.969556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.969556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.368752 (E_RNA)
where:
Base-Base interactions energy: -714.625
where: short stacking energy: -278.664
Base-Backbone interact. energy: -1.606
local terms energy: -311.137479
where:
bonds (distance) C4'-P energy: -62.962
bonds (distance) P-C4' energy: -71.235
flat angles C4'-P-C4' energy: -66.051
flat angles P-C4'-P energy: -33.006
tors. eta vs tors. theta energy: -77.883
Dist. restrs. and SS energy: 6.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -938.135227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.135227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.662360 (E_RNA)
where:
Base-Base interactions energy: -657.111
where: short stacking energy: -266.774
Base-Backbone interact. energy: -0.803
local terms energy: -283.747874
where:
bonds (distance) C4'-P energy: -49.882
bonds (distance) P-C4' energy: -60.627
flat angles C4'-P-C4' energy: -58.602
flat angles P-C4'-P energy: -40.798
tors. eta vs tors. theta energy: -73.840
Dist. restrs. and SS energy: 3.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -883.160715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.160715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.097462 (E_RNA)
where:
Base-Base interactions energy: -626.422
where: short stacking energy: -233.193
Base-Backbone interact. energy: 10.743
local terms energy: -273.418846
where:
bonds (distance) C4'-P energy: -60.960
bonds (distance) P-C4' energy: -65.180
flat angles C4'-P-C4' energy: -62.524
flat angles P-C4'-P energy: -36.770
tors. eta vs tors. theta energy: -47.985
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: 10, replica: 1
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -888.972497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.972497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.215359 (E_RNA)
where:
Base-Base interactions energy: -598.436
where: short stacking energy: -249.775
Base-Backbone interact. energy: 3.737
local terms energy: -301.516182
where:
bonds (distance) C4'-P energy: -62.588
bonds (distance) P-C4' energy: -65.298
flat angles C4'-P-C4' energy: -67.901
flat angles P-C4'-P energy: -38.049
tors. eta vs tors. theta energy: -67.680
Dist. restrs. and SS energy: 7.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1289.501983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.501983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.739884 (E_RNA)
where:
Base-Base interactions energy: -904.382
where: short stacking energy: -368.381
Base-Backbone interact. energy: -0.728
local terms energy: -387.630329
where:
bonds (distance) C4'-P energy: -70.874
bonds (distance) P-C4' energy: -72.242
flat angles C4'-P-C4' energy: -79.597
flat angles P-C4'-P energy: -52.384
tors. eta vs tors. theta energy: -112.533
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: 2, replica: 9
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1207.493996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.493996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.051064 (E_RNA)
where:
Base-Base interactions energy: -835.598
where: short stacking energy: -345.240
Base-Backbone interact. energy: -4.267
local terms energy: -371.186166
where:
bonds (distance) C4'-P energy: -66.709
bonds (distance) P-C4' energy: -75.013
flat angles C4'-P-C4' energy: -83.225
flat angles P-C4'-P energy: -49.307
tors. eta vs tors. theta energy: -96.932
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: 3, replica: 6
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1167.708652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.708652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.876200 (E_RNA)
where:
Base-Base interactions energy: -807.956
where: short stacking energy: -334.164
Base-Backbone interact. energy: 3.918
local terms energy: -365.838363
where:
bonds (distance) C4'-P energy: -67.460
bonds (distance) P-C4' energy: -65.654
flat angles C4'-P-C4' energy: -77.125
flat angles P-C4'-P energy: -54.511
tors. eta vs tors. theta energy: -101.089
Dist. restrs. and SS energy: 2.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1102.371175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.371175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.552858 (E_RNA)
where:
Base-Base interactions energy: -764.797
where: short stacking energy: -316.729
Base-Backbone interact. energy: -0.689
local terms energy: -340.066703
where:
bonds (distance) C4'-P energy: -63.788
bonds (distance) P-C4' energy: -56.717
flat angles C4'-P-C4' energy: -76.202
flat angles P-C4'-P energy: -50.066
tors. eta vs tors. theta energy: -93.294
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: 5, replica: 8
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1029.154209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.154209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.647052 (E_RNA)
where:
Base-Base interactions energy: -715.679
where: short stacking energy: -298.948
Base-Backbone interact. energy: -1.021
local terms energy: -316.947328
where:
bonds (distance) C4'-P energy: -70.192
bonds (distance) P-C4' energy: -62.316
flat angles C4'-P-C4' energy: -68.439
flat angles P-C4'-P energy: -39.431
tors. eta vs tors. theta energy: -76.570
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: 6, replica: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1034.548002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.548002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.909730 (E_RNA)
where:
Base-Base interactions energy: -714.625
where: short stacking energy: -293.036
Base-Backbone interact. energy: 1.876
local terms energy: -327.160261
where:
bonds (distance) C4'-P energy: -66.305
bonds (distance) P-C4' energy: -52.014
flat angles C4'-P-C4' energy: -74.817
flat angles P-C4'-P energy: -46.592
tors. eta vs tors. theta energy: -87.432
Dist. restrs. and SS energy: 5.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -985.448150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.448150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.262397 (E_RNA)
where:
Base-Base interactions energy: -690.853
where: short stacking energy: -274.516
Base-Backbone interact. energy: 0.041
local terms energy: -296.449703
where:
bonds (distance) C4'-P energy: -61.617
bonds (distance) P-C4' energy: -67.216
flat angles C4'-P-C4' energy: -61.291
flat angles P-C4'-P energy: -39.637
tors. eta vs tors. theta energy: -66.689
Dist. restrs. and SS energy: 1.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -932.263662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.263662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.136337 (E_RNA)
where:
Base-Base interactions energy: -626.382
where: short stacking energy: -247.617
Base-Backbone interact. energy: -1.940
local terms energy: -307.814811
where:
bonds (distance) C4'-P energy: -65.431
bonds (distance) P-C4' energy: -69.260
flat angles C4'-P-C4' energy: -67.082
flat angles P-C4'-P energy: -45.317
tors. eta vs tors. theta energy: -60.726
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: 9, replica: 3
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -916.155334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.155334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.007555 (E_RNA)
where:
Base-Base interactions energy: -658.773
where: short stacking energy: -270.326
Base-Backbone interact. energy: -3.842
local terms energy: -258.392012
where:
bonds (distance) C4'-P energy: -41.389
bonds (distance) P-C4' energy: -53.957
flat angles C4'-P-C4' energy: -64.340
flat angles P-C4'-P energy: -36.388
tors. eta vs tors. theta energy: -62.319
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: 10, replica: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -919.228131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.228131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.417414 (E_RNA)
where:
Base-Base interactions energy: -664.660
where: short stacking energy: -257.678
Base-Backbone interact. energy: -1.361
local terms energy: -256.396907
where:
bonds (distance) C4'-P energy: -53.671
bonds (distance) P-C4' energy: -55.668
flat angles C4'-P-C4' energy: -66.445
flat angles P-C4'-P energy: -29.613
tors. eta vs tors. theta energy: -51.000
Dist. restrs. and SS energy: 3.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1295.353792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.353792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.242684 (E_RNA)
where:
Base-Base interactions energy: -902.423
where: short stacking energy: -365.560
Base-Backbone interact. energy: -2.265
local terms energy: -393.554586
where:
bonds (distance) C4'-P energy: -69.774
bonds (distance) P-C4' energy: -74.113
flat angles C4'-P-C4' energy: -81.957
flat angles P-C4'-P energy: -60.712
tors. eta vs tors. theta energy: -106.998
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: 9
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1216.856295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.856295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.753257 (E_RNA)
where:
Base-Base interactions energy: -840.790
where: short stacking energy: -339.891
Base-Backbone interact. energy: -3.887
local terms energy: -375.075431
where:
bonds (distance) C4'-P energy: -65.809
bonds (distance) P-C4' energy: -79.302
flat angles C4'-P-C4' energy: -83.082
flat angles P-C4'-P energy: -55.980
tors. eta vs tors. theta energy: -90.902
Dist. restrs. and SS energy: 2.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1180.049501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.049501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.658561 (E_RNA)
where:
Base-Base interactions energy: -821.108
where: short stacking energy: -336.660
Base-Backbone interact. energy: 2.210
local terms energy: -364.760843
where:
bonds (distance) C4'-P energy: -73.070
bonds (distance) P-C4' energy: -63.620
flat angles C4'-P-C4' energy: -75.729
flat angles P-C4'-P energy: -45.612
tors. eta vs tors. theta energy: -106.730
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: 4, replica: 2
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1098.125932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.125932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.375547 (E_RNA)
where:
Base-Base interactions energy: -754.064
where: short stacking energy: -327.843
Base-Backbone interact. energy: -1.998
local terms energy: -348.314158
where:
bonds (distance) C4'-P energy: -67.818
bonds (distance) P-C4' energy: -70.823
flat angles C4'-P-C4' energy: -74.202
flat angles P-C4'-P energy: -40.667
tors. eta vs tors. theta energy: -94.805
Dist. restrs. and SS energy: 6.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1058.417455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.417455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.119816 (E_RNA)
where:
Base-Base interactions energy: -729.064
where: short stacking energy: -302.957
Base-Backbone interact. energy: 0.694
local terms energy: -332.749297
where:
bonds (distance) C4'-P energy: -56.167
bonds (distance) P-C4' energy: -74.337
flat angles C4'-P-C4' energy: -75.624
flat angles P-C4'-P energy: -44.829
tors. eta vs tors. theta energy: -81.793
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: 10
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1026.128518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.128518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.923425 (E_RNA)
where:
Base-Base interactions energy: -712.603
where: short stacking energy: -300.493
Base-Backbone interact. energy: -1.004
local terms energy: -321.316616
where:
bonds (distance) C4'-P energy: -62.531
bonds (distance) P-C4' energy: -66.582
flat angles C4'-P-C4' energy: -69.072
flat angles P-C4'-P energy: -41.179
tors. eta vs tors. theta energy: -81.953
Dist. restrs. and SS energy: 8.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1003.166113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.166113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.536822 (E_RNA)
where:
Base-Base interactions energy: -683.717
where: short stacking energy: -286.086
Base-Backbone interact. energy: -1.726
local terms energy: -326.093050
where:
bonds (distance) C4'-P energy: -60.318
bonds (distance) P-C4' energy: -61.147
flat angles C4'-P-C4' energy: -70.695
flat angles P-C4'-P energy: -52.652
tors. eta vs tors. theta energy: -81.280
Dist. restrs. and SS energy: 8.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -962.458929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.458929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.078326 (E_RNA)
where:
Base-Base interactions energy: -651.990
where: short stacking energy: -265.483
Base-Backbone interact. energy: -2.252
local terms energy: -313.836727
where:
bonds (distance) C4'-P energy: -59.917
bonds (distance) P-C4' energy: -66.596
flat angles C4'-P-C4' energy: -70.756
flat angles P-C4'-P energy: -48.395
tors. eta vs tors. theta energy: -68.173
Dist. restrs. and SS energy: 5.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -912.317893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.317893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.676292 (E_RNA)
where:
Base-Base interactions energy: -630.042
where: short stacking energy: -261.539
Base-Backbone interact. energy: 5.243
local terms energy: -293.877202
where:
bonds (distance) C4'-P energy: -57.223
bonds (distance) P-C4' energy: -60.845
flat angles C4'-P-C4' energy: -66.873
flat angles P-C4'-P energy: -44.402
tors. eta vs tors. theta energy: -64.535
Dist. restrs. and SS energy: 6.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -873.454298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.454298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.831458 (E_RNA)
where:
Base-Base interactions energy: -649.740
where: short stacking energy: -236.021
Base-Backbone interact. energy: 1.012
local terms energy: -231.102827
where:
bonds (distance) C4'-P energy: -31.843
bonds (distance) P-C4' energy: -42.611
flat angles C4'-P-C4' energy: -62.054
flat angles P-C4'-P energy: -40.764
tors. eta vs tors. theta energy: -53.831
Dist. restrs. and SS energy: 6.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1264.888372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.888372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.185140 (E_RNA)
where:
Base-Base interactions energy: -879.151
where: short stacking energy: -352.375
Base-Backbone interact. energy: -0.168
local terms energy: -387.866233
where:
bonds (distance) C4'-P energy: -70.589
bonds (distance) P-C4' energy: -71.951
flat angles C4'-P-C4' energy: -77.099
flat angles P-C4'-P energy: -56.722
tors. eta vs tors. theta energy: -111.504
Dist. restrs. and SS energy: 2.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1192.397362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.397362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.577250 (E_RNA)
where:
Base-Base interactions energy: -835.472
where: short stacking energy: -340.571
Base-Backbone interact. energy: 1.011
local terms energy: -359.115601
where:
bonds (distance) C4'-P energy: -72.308
bonds (distance) P-C4' energy: -64.150
flat angles C4'-P-C4' energy: -77.447
flat angles P-C4'-P energy: -50.318
tors. eta vs tors. theta energy: -94.894
Dist. restrs. and SS energy: 1.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1171.772046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.772046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.151275 (E_RNA)
where:
Base-Base interactions energy: -821.967
where: short stacking energy: -343.134
Base-Backbone interact. energy: -1.110
local terms energy: -353.074916
where:
bonds (distance) C4'-P energy: -63.589
bonds (distance) P-C4' energy: -67.015
flat angles C4'-P-C4' energy: -76.548
flat angles P-C4'-P energy: -46.936
tors. eta vs tors. theta energy: -98.987
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: 4, replica: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1123.494466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.494466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.196720 (E_RNA)
where:
Base-Base interactions energy: -767.949
where: short stacking energy: -319.794
Base-Backbone interact. energy: -1.608
local terms energy: -357.639414
where:
bonds (distance) C4'-P energy: -71.966
bonds (distance) P-C4' energy: -59.534
flat angles C4'-P-C4' energy: -75.956
flat angles P-C4'-P energy: -51.122
tors. eta vs tors. theta energy: -99.061
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: 8
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1049.862102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.862102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.316059 (E_RNA)
where:
Base-Base interactions energy: -720.839
where: short stacking energy: -284.087
Base-Backbone interact. energy: -1.335
local terms energy: -333.141693
where:
bonds (distance) C4'-P energy: -68.966
bonds (distance) P-C4' energy: -62.676
flat angles C4'-P-C4' energy: -70.009
flat angles P-C4'-P energy: -52.746
tors. eta vs tors. theta energy: -78.745
Dist. restrs. and SS energy: 5.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1036.980548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.980548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.169791 (E_RNA)
where:
Base-Base interactions energy: -732.311
where: short stacking energy: -291.160
Base-Backbone interact. energy: -1.653
local terms energy: -307.206544
where:
bonds (distance) C4'-P energy: -60.907
bonds (distance) P-C4' energy: -63.543
flat angles C4'-P-C4' energy: -72.029
flat angles P-C4'-P energy: -39.089
tors. eta vs tors. theta energy: -71.639
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: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -966.650130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.650130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.575316 (E_RNA)
where:
Base-Base interactions energy: -689.274
where: short stacking energy: -262.513
Base-Backbone interact. energy: -2.675
local terms energy: -282.626291
where:
bonds (distance) C4'-P energy: -64.186
bonds (distance) P-C4' energy: -58.755
flat angles C4'-P-C4' energy: -71.180
flat angles P-C4'-P energy: -34.438
tors. eta vs tors. theta energy: -54.067
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: 8, replica: 1
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -953.004355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.004355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.015853 (E_RNA)
where:
Base-Base interactions energy: -661.629
where: short stacking energy: -267.521
Base-Backbone interact. energy: -1.721
local terms energy: -294.666008
where:
bonds (distance) C4'-P energy: -57.159
bonds (distance) P-C4' energy: -57.327
flat angles C4'-P-C4' energy: -69.177
flat angles P-C4'-P energy: -38.408
tors. eta vs tors. theta energy: -72.595
Dist. restrs. and SS energy: 5.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -925.878301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.878301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.890339 (E_RNA)
where:
Base-Base interactions energy: -647.523
where: short stacking energy: -261.474
Base-Backbone interact. energy: -2.377
local terms energy: -279.990401
where:
bonds (distance) C4'-P energy: -47.749
bonds (distance) P-C4' energy: -52.832
flat angles C4'-P-C4' energy: -60.741
flat angles P-C4'-P energy: -47.601
tors. eta vs tors. theta energy: -71.067
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: 3
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -885.538237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.538237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.899671 (E_RNA)
where:
Base-Base interactions energy: -629.849
where: short stacking energy: -257.239
Base-Backbone interact. energy: -0.899
local terms energy: -261.152191
where:
bonds (distance) C4'-P energy: -54.963
bonds (distance) P-C4' energy: -49.565
flat angles C4'-P-C4' energy: -48.260
flat angles P-C4'-P energy: -36.935
tors. eta vs tors. theta energy: -71.430
Dist. restrs. and SS energy: 6.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1271.200238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.200238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.090117 (E_RNA)
where:
Base-Base interactions energy: -883.769
where: short stacking energy: -369.936
Base-Backbone interact. energy: -2.495
local terms energy: -388.826904
where:
bonds (distance) C4'-P energy: -72.407
bonds (distance) P-C4' energy: -74.367
flat angles C4'-P-C4' energy: -81.348
flat angles P-C4'-P energy: -48.022
tors. eta vs tors. theta energy: -112.681
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: 2, replica: 9
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1211.143629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.143629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.763930 (E_RNA)
where:
Base-Base interactions energy: -832.333
where: short stacking energy: -339.100
Base-Backbone interact. energy: -2.107
local terms energy: -377.324038
where:
bonds (distance) C4'-P energy: -67.806
bonds (distance) P-C4' energy: -75.301
flat angles C4'-P-C4' energy: -88.318
flat angles P-C4'-P energy: -54.091
tors. eta vs tors. theta energy: -91.808
Dist. restrs. and SS energy: 0.620 (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: 6
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1189.445974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.445974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.092340 (E_RNA)
where:
Base-Base interactions energy: -830.215
where: short stacking energy: -348.849
Base-Backbone interact. energy: -3.587
local terms energy: -359.290504
where:
bonds (distance) C4'-P energy: -52.044
bonds (distance) P-C4' energy: -65.367
flat angles C4'-P-C4' energy: -79.450
flat angles P-C4'-P energy: -51.828
tors. eta vs tors. theta energy: -110.601
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: 4, replica: 2
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1091.706988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.706988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.268917 (E_RNA)
where:
Base-Base interactions energy: -777.299
where: short stacking energy: -320.480
Base-Backbone interact. energy: 2.962
local terms energy: -320.931565
where:
bonds (distance) C4'-P energy: -59.705
bonds (distance) P-C4' energy: -55.793
flat angles C4'-P-C4' energy: -71.077
flat angles P-C4'-P energy: -43.587
tors. eta vs tors. theta energy: -90.769
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: 5, replica: 8
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1052.790078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.790078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.800928 (E_RNA)
where:
Base-Base interactions energy: -720.879
where: short stacking energy: -306.640
Base-Backbone interact. energy: -0.176
local terms energy: -333.745612
where:
bonds (distance) C4'-P energy: -66.662
bonds (distance) P-C4' energy: -69.683
flat angles C4'-P-C4' energy: -66.631
flat angles P-C4'-P energy: -46.847
tors. eta vs tors. theta energy: -83.923
Dist. restrs. and SS energy: 2.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1040.414046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.414046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.565377 (E_RNA)
where:
Base-Base interactions energy: -734.384
where: short stacking energy: -298.172
Base-Backbone interact. energy: -0.896
local terms energy: -308.285876
where:
bonds (distance) C4'-P energy: -64.750
bonds (distance) P-C4' energy: -51.708
flat angles C4'-P-C4' energy: -69.836
flat angles P-C4'-P energy: -42.694
tors. eta vs tors. theta energy: -79.298
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: 7, replica: 1
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -986.273422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.273422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.183331 (E_RNA)
where:
Base-Base interactions energy: -702.338
where: short stacking energy: -279.719
Base-Backbone interact. energy: 2.533
local terms energy: -290.378393
where:
bonds (distance) C4'-P energy: -70.378
bonds (distance) P-C4' energy: -54.945
flat angles C4'-P-C4' energy: -67.243
flat angles P-C4'-P energy: -30.446
tors. eta vs tors. theta energy: -67.367
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: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -940.285047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.285047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.624214 (E_RNA)
where:
Base-Base interactions energy: -664.157
where: short stacking energy: -277.958
Base-Backbone interact. energy: -0.422
local terms energy: -282.045171
where:
bonds (distance) C4'-P energy: -62.905
bonds (distance) P-C4' energy: -39.277
flat angles C4'-P-C4' energy: -61.703
flat angles P-C4'-P energy: -47.759
tors. eta vs tors. theta energy: -70.401
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: 9, replica: 3
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -894.108012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.108012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.317234 (E_RNA)
where:
Base-Base interactions energy: -630.527
where: short stacking energy: -264.807
Base-Backbone interact. energy: -0.570
local terms energy: -267.220790
where:
bonds (distance) C4'-P energy: -47.716
bonds (distance) P-C4' energy: -49.229
flat angles C4'-P-C4' energy: -64.718
flat angles P-C4'-P energy: -34.364
tors. eta vs tors. theta energy: -71.194
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: 10, replica: 5
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -925.732931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.732931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.509814 (E_RNA)
where:
Base-Base interactions energy: -651.704
where: short stacking energy: -271.003
Base-Backbone interact. energy: -1.523
local terms energy: -278.282296
where:
bonds (distance) C4'-P energy: -57.913
bonds (distance) P-C4' energy: -66.481
flat angles C4'-P-C4' energy: -59.332
flat angles P-C4'-P energy: -35.544
tors. eta vs tors. theta energy: -59.013
Dist. restrs. and SS energy: 5.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1284.440045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.440045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.888520 (E_RNA)
where:
Base-Base interactions energy: -901.003
where: short stacking energy: -374.985
Base-Backbone interact. energy: 1.915
local terms energy: -387.801218
where:
bonds (distance) C4'-P energy: -68.702
bonds (distance) P-C4' energy: -71.339
flat angles C4'-P-C4' energy: -78.409
flat angles P-C4'-P energy: -58.036
tors. eta vs tors. theta energy: -111.315
Dist. restrs. and SS energy: 2.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1209.104600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.104600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.564361 (E_RNA)
where:
Base-Base interactions energy: -842.965
where: short stacking energy: -350.771
Base-Backbone interact. energy: 1.340
local terms energy: -370.939511
where:
bonds (distance) C4'-P energy: -69.240
bonds (distance) P-C4' energy: -63.780
flat angles C4'-P-C4' energy: -77.640
flat angles P-C4'-P energy: -53.930
tors. eta vs tors. theta energy: -106.349
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: 3, replica: 9
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1193.381357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.381357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.301662 (E_RNA)
where:
Base-Base interactions energy: -841.194
where: short stacking energy: -337.911
Base-Backbone interact. energy: -1.080
local terms energy: -352.027249
where:
bonds (distance) C4'-P energy: -70.739
bonds (distance) P-C4' energy: -58.300
flat angles C4'-P-C4' energy: -75.220
flat angles P-C4'-P energy: -51.909
tors. eta vs tors. theta energy: -95.860
Dist. restrs. and SS energy: 0.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1086.298820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.298820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.158072 (E_RNA)
where:
Base-Base interactions energy: -758.899
where: short stacking energy: -306.501
Base-Backbone interact. energy: -0.439
local terms energy: -327.820104
where:
bonds (distance) C4'-P energy: -61.138
bonds (distance) P-C4' energy: -69.446
flat angles C4'-P-C4' energy: -64.365
flat angles P-C4'-P energy: -46.933
tors. eta vs tors. theta energy: -85.938
Dist. restrs. and SS energy: 0.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1119.399634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.399634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.848277 (E_RNA)
where:
Base-Base interactions energy: -775.745
where: short stacking energy: -322.827
Base-Backbone interact. energy: -2.389
local terms energy: -342.714624
where:
bonds (distance) C4'-P energy: -55.631
bonds (distance) P-C4' energy: -64.888
flat angles C4'-P-C4' energy: -82.589
flat angles P-C4'-P energy: -46.382
tors. eta vs tors. theta energy: -93.225
Dist. restrs. and SS energy: 1.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1035.316215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.316215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.132762 (E_RNA)
where:
Base-Base interactions energy: -723.277
where: short stacking energy: -297.730
Base-Backbone interact. energy: -0.441
local terms energy: -316.414699
where:
bonds (distance) C4'-P energy: -64.228
bonds (distance) P-C4' energy: -66.693
flat angles C4'-P-C4' energy: -68.339
flat angles P-C4'-P energy: -40.897
tors. eta vs tors. theta energy: -76.256
Dist. restrs. and SS energy: 4.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -991.690373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.690373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.562016 (E_RNA)
where:
Base-Base interactions energy: -693.355
where: short stacking energy: -272.193
Base-Backbone interact. energy: -1.563
local terms energy: -299.643345
where:
bonds (distance) C4'-P energy: -60.210
bonds (distance) P-C4' energy: -60.512
flat angles C4'-P-C4' energy: -57.503
flat angles P-C4'-P energy: -43.665
tors. eta vs tors. theta energy: -77.753
Dist. restrs. and SS energy: 2.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -944.042373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.042373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.311297 (E_RNA)
where:
Base-Base interactions energy: -643.744
where: short stacking energy: -266.326
Base-Backbone interact. energy: -1.357
local terms energy: -308.210148
where:
bonds (distance) C4'-P energy: -53.739
bonds (distance) P-C4' energy: -62.088
flat angles C4'-P-C4' energy: -75.926
flat angles P-C4'-P energy: -48.405
tors. eta vs tors. theta energy: -68.052
Dist. restrs. and SS energy: 9.269 (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: 10
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -899.940232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.940232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.507283 (E_RNA)
where:
Base-Base interactions energy: -629.995
where: short stacking energy: -251.289
Base-Backbone interact. energy: -1.531
local terms energy: -271.980853
where:
bonds (distance) C4'-P energy: -58.179
bonds (distance) P-C4' energy: -49.409
flat angles C4'-P-C4' energy: -67.382
flat angles P-C4'-P energy: -39.041
tors. eta vs tors. theta energy: -57.971
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: 10, replica: 5
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -898.243678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.243678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.715699 (E_RNA)
where:
Base-Base interactions energy: -605.340
where: short stacking energy: -240.980
Base-Backbone interact. energy: 3.837
local terms energy: -300.212706
where:
bonds (distance) C4'-P energy: -64.856
bonds (distance) P-C4' energy: -51.054
flat angles C4'-P-C4' energy: -73.454
flat angles P-C4'-P energy: -47.806
tors. eta vs tors. theta energy: -63.043
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: 1, replica: 4
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1283.339389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.339389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.003837 (E_RNA)
where:
Base-Base interactions energy: -887.325
where: short stacking energy: -368.981
Base-Backbone interact. energy: -3.222
local terms energy: -396.456451
where:
bonds (distance) C4'-P energy: -72.217
bonds (distance) P-C4' energy: -76.838
flat angles C4'-P-C4' energy: -75.489
flat angles P-C4'-P energy: -61.199
tors. eta vs tors. theta energy: -110.713
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: 2, replica: 6
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1212.961772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.961772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.279480 (E_RNA)
where:
Base-Base interactions energy: -839.116
where: short stacking energy: -361.986
Base-Backbone interact. energy: -1.580
local terms energy: -376.584204
where:
bonds (distance) C4'-P energy: -62.179
bonds (distance) P-C4' energy: -71.027
flat angles C4'-P-C4' energy: -84.174
flat angles P-C4'-P energy: -54.223
tors. eta vs tors. theta energy: -104.981
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: 3, replica: 9
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1144.363833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.363833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.281472 (E_RNA)
where:
Base-Base interactions energy: -802.947
where: short stacking energy: -323.067
Base-Backbone interact. energy: 0.810
local terms energy: -344.144580
where:
bonds (distance) C4'-P energy: -60.981
bonds (distance) P-C4' energy: -68.923
flat angles C4'-P-C4' energy: -80.371
flat angles P-C4'-P energy: -48.366
tors. eta vs tors. theta energy: -85.504
Dist. restrs. and SS energy: 1.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1063.255392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.255392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.834190 (E_RNA)
where:
Base-Base interactions energy: -754.717
where: short stacking energy: -331.279
Base-Backbone interact. energy: -1.730
local terms energy: -308.387812
where:
bonds (distance) C4'-P energy: -60.511
bonds (distance) P-C4' energy: -60.316
flat angles C4'-P-C4' energy: -61.029
flat angles P-C4'-P energy: -41.201
tors. eta vs tors. theta energy: -85.331
Dist. restrs. and SS energy: 1.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1110.482993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.482993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.512593 (E_RNA)
where:
Base-Base interactions energy: -786.631
where: short stacking energy: -327.055
Base-Backbone interact. energy: -0.964
local terms energy: -325.917458
where:
bonds (distance) C4'-P energy: -46.503
bonds (distance) P-C4' energy: -65.835
flat angles C4'-P-C4' energy: -74.087
flat angles P-C4'-P energy: -49.218
tors. eta vs tors. theta energy: -90.275
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: 6, replica: 1
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1032.950648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.950648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.778126 (E_RNA)
where:
Base-Base interactions energy: -737.804
where: short stacking energy: -308.843
Base-Backbone interact. energy: -1.957
local terms energy: -298.016668
where:
bonds (distance) C4'-P energy: -56.822
bonds (distance) P-C4' energy: -57.233
flat angles C4'-P-C4' energy: -67.910
flat angles P-C4'-P energy: -40.742
tors. eta vs tors. theta energy: -75.309
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: 7
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -996.047388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.047388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.010705 (E_RNA)
where:
Base-Base interactions energy: -700.290
where: short stacking energy: -295.891
Base-Backbone interact. energy: 0.818
local terms energy: -302.539151
where:
bonds (distance) C4'-P energy: -55.822
bonds (distance) P-C4' energy: -61.443
flat angles C4'-P-C4' energy: -64.040
flat angles P-C4'-P energy: -38.466
tors. eta vs tors. theta energy: -82.768
Dist. restrs. and SS energy: 5.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -896.687514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.687514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.283178 (E_RNA)
where:
Base-Base interactions energy: -633.126
where: short stacking energy: -246.517
Base-Backbone interact. energy: 2.163
local terms energy: -276.319503
where:
bonds (distance) C4'-P energy: -53.551
bonds (distance) P-C4' energy: -63.037
flat angles C4'-P-C4' energy: -65.422
flat angles P-C4'-P energy: -48.215
tors. eta vs tors. theta energy: -46.094
Dist. restrs. and SS energy: 10.596 (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: 10
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -920.292494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.292494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.681365 (E_RNA)
where:
Base-Base interactions energy: -651.935
where: short stacking energy: -262.884
Base-Backbone interact. energy: -2.013
local terms energy: -267.733353
where:
bonds (distance) C4'-P energy: -55.706
bonds (distance) P-C4' energy: -48.733
flat angles C4'-P-C4' energy: -64.110
flat angles P-C4'-P energy: -44.677
tors. eta vs tors. theta energy: -54.508
Dist. restrs. and SS energy: 1.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -911.580474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.580474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.366320 (E_RNA)
where:
Base-Base interactions energy: -645.305
where: short stacking energy: -259.739
Base-Backbone interact. energy: 6.522
local terms energy: -279.583008
where:
bonds (distance) C4'-P energy: -50.229
bonds (distance) P-C4' energy: -52.522
flat angles C4'-P-C4' energy: -69.040
flat angles P-C4'-P energy: -39.763
tors. eta vs tors. theta energy: -68.028
Dist. restrs. and SS energy: 6.786 (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: 4
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1262.529907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.529907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.499838 (E_RNA)
where:
Base-Base interactions energy: -878.636
where: short stacking energy: -361.962
Base-Backbone interact. energy: -0.364
local terms energy: -386.500282
where:
bonds (distance) C4'-P energy: -74.832
bonds (distance) P-C4' energy: -68.020
flat angles C4'-P-C4' energy: -72.605
flat angles P-C4'-P energy: -57.925
tors. eta vs tors. theta energy: -113.118
Dist. restrs. and SS energy: 2.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1184.287629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.287629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.876210 (E_RNA)
where:
Base-Base interactions energy: -804.245
where: short stacking energy: -345.449
Base-Backbone interact. energy: -2.554
local terms energy: -382.077236
where:
bonds (distance) C4'-P energy: -71.248
bonds (distance) P-C4' energy: -76.708
flat angles C4'-P-C4' energy: -84.673
flat angles P-C4'-P energy: -50.384
tors. eta vs tors. theta energy: -99.063
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: 3, replica: 9
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1137.095404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.095404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.125112 (E_RNA)
where:
Base-Base interactions energy: -798.212
where: short stacking energy: -322.050
Base-Backbone interact. energy: -2.854
local terms energy: -337.058986
where:
bonds (distance) C4'-P energy: -59.232
bonds (distance) P-C4' energy: -63.612
flat angles C4'-P-C4' energy: -73.366
flat angles P-C4'-P energy: -48.197
tors. eta vs tors. theta energy: -92.653
Dist. restrs. and SS energy: 1.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1121.538080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.538080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.933340 (E_RNA)
where:
Base-Base interactions energy: -790.191
where: short stacking energy: -332.361
Base-Backbone interact. energy: -1.384
local terms energy: -333.358181
where:
bonds (distance) C4'-P energy: -55.152
bonds (distance) P-C4' energy: -59.638
flat angles C4'-P-C4' energy: -80.747
flat angles P-C4'-P energy: -43.506
tors. eta vs tors. theta energy: -94.315
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: 5, replica: 8
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1049.750647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.750647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.424733 (E_RNA)
where:
Base-Base interactions energy: -734.675
where: short stacking energy: -310.238
Base-Backbone interact. energy: -0.635
local terms energy: -318.114161
where:
bonds (distance) C4'-P energy: -61.439
bonds (distance) P-C4' energy: -64.396
flat angles C4'-P-C4' energy: -67.214
flat angles P-C4'-P energy: -47.426
tors. eta vs tors. theta energy: -77.639
Dist. restrs. and SS energy: 3.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1035.941265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.941265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.513842 (E_RNA)
where:
Base-Base interactions energy: -716.083
where: short stacking energy: -285.964
Base-Backbone interact. energy: -0.908
local terms energy: -323.523352
where:
bonds (distance) C4'-P energy: -60.797
bonds (distance) P-C4' energy: -63.738
flat angles C4'-P-C4' energy: -74.765
flat angles P-C4'-P energy: -48.066
tors. eta vs tors. theta energy: -76.157
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: 7, replica: 1
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -984.203282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.203282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.814870 (E_RNA)
where:
Base-Base interactions energy: -674.902
where: short stacking energy: -277.482
Base-Backbone interact. energy: 4.270
local terms energy: -317.182712
where:
bonds (distance) C4'-P energy: -53.884
bonds (distance) P-C4' energy: -67.530
flat angles C4'-P-C4' energy: -64.792
flat angles P-C4'-P energy: -52.772
tors. eta vs tors. theta energy: -78.205
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: 8, replica: 10
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -962.036948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.036948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.533361 (E_RNA)
where:
Base-Base interactions energy: -697.431
where: short stacking energy: -279.154
Base-Backbone interact. energy: -0.203
local terms energy: -265.899205
where:
bonds (distance) C4'-P energy: -46.921
bonds (distance) P-C4' energy: -52.514
flat angles C4'-P-C4' energy: -66.103
flat angles P-C4'-P energy: -34.123
tors. eta vs tors. theta energy: -66.239
Dist. restrs. and SS energy: 1.496 (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: 3
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -886.387224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.387224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.733222 (E_RNA)
where:
Base-Base interactions energy: -630.130
where: short stacking energy: -259.985
Base-Backbone interact. energy: 2.268
local terms energy: -268.870993
where:
bonds (distance) C4'-P energy: -39.814
bonds (distance) P-C4' energy: -57.980
flat angles C4'-P-C4' energy: -71.960
flat angles P-C4'-P energy: -38.583
tors. eta vs tors. theta energy: -60.533
Dist. restrs. and SS energy: 10.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -864.913780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.913780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.013254 (E_RNA)
where:
Base-Base interactions energy: -584.974
where: short stacking energy: -219.426
Base-Backbone interact. energy: 0.096
local terms energy: -287.135525
where:
bonds (distance) C4'-P energy: -66.572
bonds (distance) P-C4' energy: -62.076
flat angles C4'-P-C4' energy: -62.797
flat angles P-C4'-P energy: -47.034
tors. eta vs tors. theta energy: -48.657
Dist. restrs. and SS energy: 7.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1256.650996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.650996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.450054 (E_RNA)
where:
Base-Base interactions energy: -878.090
where: short stacking energy: -363.562
Base-Backbone interact. energy: -2.044
local terms energy: -379.316274
where:
bonds (distance) C4'-P energy: -65.091
bonds (distance) P-C4' energy: -74.391
flat angles C4'-P-C4' energy: -81.391
flat angles P-C4'-P energy: -50.752
tors. eta vs tors. theta energy: -107.691
Dist. restrs. and SS energy: 2.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1218.869038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.869038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.054908 (E_RNA)
where:
Base-Base interactions energy: -844.639
where: short stacking energy: -343.192
Base-Backbone interact. energy: -1.231
local terms energy: -376.185393
where:
bonds (distance) C4'-P energy: -71.794
bonds (distance) P-C4' energy: -70.756
flat angles C4'-P-C4' energy: -79.347
flat angles P-C4'-P energy: -46.890
tors. eta vs tors. theta energy: -107.398
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: 9
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1158.186190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.186190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.125333 (E_RNA)
where:
Base-Base interactions energy: -798.594
where: short stacking energy: -327.554
Base-Backbone interact. energy: -1.440
local terms energy: -359.090954
where:
bonds (distance) C4'-P energy: -70.563
bonds (distance) P-C4' energy: -64.548
flat angles C4'-P-C4' energy: -76.341
flat angles P-C4'-P energy: -53.733
tors. eta vs tors. theta energy: -93.907
Dist. restrs. and SS energy: 0.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1129.988165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.988165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.313824 (E_RNA)
where:
Base-Base interactions energy: -789.245
where: short stacking energy: -311.969
Base-Backbone interact. energy: -1.098
local terms energy: -343.970378
where:
bonds (distance) C4'-P energy: -56.847
bonds (distance) P-C4' energy: -61.953
flat angles C4'-P-C4' energy: -73.147
flat angles P-C4'-P energy: -59.932
tors. eta vs tors. theta energy: -92.090
Dist. restrs. and SS energy: 4.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1049.458627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.458627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.569891 (E_RNA)
where:
Base-Base interactions energy: -730.512
where: short stacking energy: -288.111
Base-Backbone interact. energy: -1.852
local terms energy: -322.206329
where:
bonds (distance) C4'-P energy: -64.733
bonds (distance) P-C4' energy: -71.784
flat angles C4'-P-C4' energy: -62.493
flat angles P-C4'-P energy: -51.506
tors. eta vs tors. theta energy: -71.690
Dist. restrs. and SS energy: 5.111 (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: 8
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1005.351699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.351699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.061948 (E_RNA)
where:
Base-Base interactions energy: -707.555
where: short stacking energy: -283.323
Base-Backbone interact. energy: 1.789
local terms energy: -303.295919
where:
bonds (distance) C4'-P energy: -57.776
bonds (distance) P-C4' energy: -69.597
flat angles C4'-P-C4' energy: -64.940
flat angles P-C4'-P energy: -48.695
tors. eta vs tors. theta energy: -62.288
Dist. restrs. and SS energy: 3.710 (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: 1
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -980.309236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.309236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.500260 (E_RNA)
where:
Base-Base interactions energy: -681.529
where: short stacking energy: -264.482
Base-Backbone interact. energy: -1.038
local terms energy: -302.933105
where:
bonds (distance) C4'-P energy: -68.103
bonds (distance) P-C4' energy: -66.370
flat angles C4'-P-C4' energy: -63.904
flat angles P-C4'-P energy: -44.693
tors. eta vs tors. theta energy: -59.863
Dist. restrs. and SS energy: 5.191 (S_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: 424
Temperature: 1.250000
Total energy: -968.630846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.630846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.821972 (E_RNA)
where:
Base-Base interactions energy: -691.940
where: short stacking energy: -277.805
Base-Backbone interact. energy: -2.674
local terms energy: -278.208675
where:
bonds (distance) C4'-P energy: -50.362
bonds (distance) P-C4' energy: -51.666
flat angles C4'-P-C4' energy: -60.962
flat angles P-C4'-P energy: -42.895
tors. eta vs tors. theta energy: -72.324
Dist. restrs. and SS energy: 4.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -847.717720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.717720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.558333 (E_RNA)
where:
Base-Base interactions energy: -589.119
where: short stacking energy: -238.553
Base-Backbone interact. energy: 1.210
local terms energy: -267.649611
where:
bonds (distance) C4'-P energy: -60.716
bonds (distance) P-C4' energy: -54.875
flat angles C4'-P-C4' energy: -58.250
flat angles P-C4'-P energy: -36.492
tors. eta vs tors. theta energy: -57.317
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: 10, replica: 3
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -857.172642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.172642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.619401 (E_RNA)
where:
Base-Base interactions energy: -608.879
where: short stacking energy: -239.581
Base-Backbone interact. energy: 3.252
local terms energy: -256.992207
where:
bonds (distance) C4'-P energy: -55.039
bonds (distance) P-C4' energy: -54.224
flat angles C4'-P-C4' energy: -59.335
flat angles P-C4'-P energy: -41.244
tors. eta vs tors. theta energy: -47.151
Dist. restrs. and SS energy: 5.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1245.322675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.322675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.022342 (E_RNA)
where:
Base-Base interactions energy: -857.704
where: short stacking energy: -357.703
Base-Backbone interact. energy: -3.343
local terms energy: -387.974736
where:
bonds (distance) C4'-P energy: -71.725
bonds (distance) P-C4' energy: -66.862
flat angles C4'-P-C4' energy: -75.256
flat angles P-C4'-P energy: -64.583
tors. eta vs tors. theta energy: -109.549
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: 2, replica: 6
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1211.933075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.933075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.028439 (E_RNA)
where:
Base-Base interactions energy: -853.083
where: short stacking energy: -348.311
Base-Backbone interact. energy: -0.072
local terms energy: -362.873758
where:
bonds (distance) C4'-P energy: -63.382
bonds (distance) P-C4' energy: -68.934
flat angles C4'-P-C4' energy: -72.861
flat angles P-C4'-P energy: -54.679
tors. eta vs tors. theta energy: -103.018
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: 3, replica: 9
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1185.332998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.332998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.960607 (E_RNA)
where:
Base-Base interactions energy: -822.910
where: short stacking energy: -357.385
Base-Backbone interact. energy: -1.669
local terms energy: -364.382070
where:
bonds (distance) C4'-P energy: -70.484
bonds (distance) P-C4' energy: -67.444
flat angles C4'-P-C4' energy: -77.486
flat angles P-C4'-P energy: -51.652
tors. eta vs tors. theta energy: -97.317
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: 4, replica: 2
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1124.443768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.443768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.566646 (E_RNA)
where:
Base-Base interactions energy: -782.622
where: short stacking energy: -341.867
Base-Backbone interact. energy: 0.197
local terms energy: -346.140875
where:
bonds (distance) C4'-P energy: -60.354
bonds (distance) P-C4' energy: -70.533
flat angles C4'-P-C4' energy: -72.676
flat angles P-C4'-P energy: -46.923
tors. eta vs tors. theta energy: -95.656
Dist. restrs. and SS energy: 4.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1051.097784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.097784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.227547 (E_RNA)
where:
Base-Base interactions energy: -740.043
where: short stacking energy: -290.218
Base-Backbone interact. energy: -1.476
local terms energy: -315.708983
where:
bonds (distance) C4'-P energy: -59.073
bonds (distance) P-C4' energy: -60.475
flat angles C4'-P-C4' energy: -71.287
flat angles P-C4'-P energy: -45.518
tors. eta vs tors. theta energy: -79.356
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: 6, replica: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -999.049715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.049715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.398623 (E_RNA)
where:
Base-Base interactions energy: -709.052
where: short stacking energy: -302.562
Base-Backbone interact. energy: 3.388
local terms energy: -298.734536
where:
bonds (distance) C4'-P energy: -52.807
bonds (distance) P-C4' energy: -69.687
flat angles C4'-P-C4' energy: -72.256
flat angles P-C4'-P energy: -33.119
tors. eta vs tors. theta energy: -70.867
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: 7, replica: 1
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -990.507164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.507164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.879017 (E_RNA)
where:
Base-Base interactions energy: -691.006
where: short stacking energy: -250.149
Base-Backbone interact. energy: -3.973
local terms energy: -296.899686
where:
bonds (distance) C4'-P energy: -63.451
bonds (distance) P-C4' energy: -57.253
flat angles C4'-P-C4' energy: -61.935
flat angles P-C4'-P energy: -45.759
tors. eta vs tors. theta energy: -68.501
Dist. restrs. and SS energy: 1.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -978.831083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.831083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.743509 (E_RNA)
where:
Base-Base interactions energy: -702.154
where: short stacking energy: -261.398
Base-Backbone interact. energy: 0.563
local terms energy: -282.153078
where:
bonds (distance) C4'-P energy: -53.870
bonds (distance) P-C4' energy: -59.021
flat angles C4'-P-C4' energy: -60.810
flat angles P-C4'-P energy: -46.326
tors. eta vs tors. theta energy: -62.127
Dist. restrs. and SS energy: 4.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -887.785983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.785983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.386543 (E_RNA)
where:
Base-Base interactions energy: -654.410
where: short stacking energy: -255.739
Base-Backbone interact. energy: -2.086
local terms energy: -244.890366
where:
bonds (distance) C4'-P energy: -45.016
bonds (distance) P-C4' energy: -57.413
flat angles C4'-P-C4' energy: -50.868
flat angles P-C4'-P energy: -38.648
tors. eta vs tors. theta energy: -52.946
Dist. restrs. and SS energy: 13.601 (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: 3
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -852.779984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.779984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.710722 (E_RNA)
where:
Base-Base interactions energy: -615.238
where: short stacking energy: -236.055
Base-Backbone interact. energy: 2.543
local terms energy: -243.015714
where:
bonds (distance) C4'-P energy: -46.492
bonds (distance) P-C4' energy: -48.356
flat angles C4'-P-C4' energy: -67.118
flat angles P-C4'-P energy: -32.233
tors. eta vs tors. theta energy: -48.816
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: 1, replica: 6
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1230.707830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.707830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.682238 (E_RNA)
where:
Base-Base interactions energy: -861.747
where: short stacking energy: -353.340
Base-Backbone interact. energy: -4.297
local terms energy: -367.638288
where:
bonds (distance) C4'-P energy: -66.557
bonds (distance) P-C4' energy: -67.409
flat angles C4'-P-C4' energy: -74.010
flat angles P-C4'-P energy: -59.632
tors. eta vs tors. theta energy: -100.030
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: 2, replica: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1232.394169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.394169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.695849 (E_RNA)
where:
Base-Base interactions energy: -856.853
where: short stacking energy: -363.401
Base-Backbone interact. energy: -1.314
local terms energy: -378.529317
where:
bonds (distance) C4'-P energy: -69.796
bonds (distance) P-C4' energy: -72.736
flat angles C4'-P-C4' energy: -80.367
flat angles P-C4'-P energy: -48.422
tors. eta vs tors. theta energy: -107.208
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: 3, replica: 9
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1156.622535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.622535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.715846 (E_RNA)
where:
Base-Base interactions energy: -801.242
where: short stacking energy: -319.146
Base-Backbone interact. energy: -2.330
local terms energy: -356.144262
where:
bonds (distance) C4'-P energy: -75.058
bonds (distance) P-C4' energy: -72.939
flat angles C4'-P-C4' energy: -68.734
flat angles P-C4'-P energy: -53.729
tors. eta vs tors. theta energy: -85.685
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: 4, replica: 2
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1111.535681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.535681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.394335 (E_RNA)
where:
Base-Base interactions energy: -785.855
where: short stacking energy: -315.063
Base-Backbone interact. energy: -3.701
local terms energy: -328.839013
where:
bonds (distance) C4'-P energy: -73.048
bonds (distance) P-C4' energy: -50.918
flat angles C4'-P-C4' energy: -69.711
flat angles P-C4'-P energy: -46.593
tors. eta vs tors. theta energy: -88.570
Dist. restrs. and SS energy: 6.859 (S_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: 426
Temperature: 1.100000
Total energy: -1058.029314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.029314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.529935 (E_RNA)
where:
Base-Base interactions energy: -757.667
where: short stacking energy: -317.989
Base-Backbone interact. energy: -2.080
local terms energy: -307.782900
where:
bonds (distance) C4'-P energy: -59.010
bonds (distance) P-C4' energy: -51.303
flat angles C4'-P-C4' energy: -70.089
flat angles P-C4'-P energy: -47.333
tors. eta vs tors. theta energy: -80.048
Dist. restrs. and SS energy: 9.501 (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: 8
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1007.133107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.133107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.194780 (E_RNA)
where:
Base-Base interactions energy: -709.248
where: short stacking energy: -279.537
Base-Backbone interact. energy: -1.726
local terms energy: -301.221549
where:
bonds (distance) C4'-P energy: -55.570
bonds (distance) P-C4' energy: -55.842
flat angles C4'-P-C4' energy: -68.936
flat angles P-C4'-P energy: -44.090
tors. eta vs tors. theta energy: -76.783
Dist. restrs. and SS energy: 5.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1008.109574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.109574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.278560 (E_RNA)
where:
Base-Base interactions energy: -721.578
where: short stacking energy: -277.575
Base-Backbone interact. energy: 1.027
local terms energy: -290.727795
where:
bonds (distance) C4'-P energy: -51.546
bonds (distance) P-C4' energy: -58.118
flat angles C4'-P-C4' energy: -65.101
flat angles P-C4'-P energy: -38.385
tors. eta vs tors. theta energy: -77.578
Dist. restrs. and SS energy: 3.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -942.319769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.319769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.664241 (E_RNA)
where:
Base-Base interactions energy: -656.077
where: short stacking energy: -261.063
Base-Backbone interact. energy: -4.254
local terms energy: -283.332657
where:
bonds (distance) C4'-P energy: -50.882
bonds (distance) P-C4' energy: -63.995
flat angles C4'-P-C4' energy: -66.236
flat angles P-C4'-P energy: -43.457
tors. eta vs tors. theta energy: -58.762
Dist. restrs. and SS energy: 1.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -882.399958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.399958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.969623 (E_RNA)
where:
Base-Base interactions energy: -614.554
where: short stacking energy: -237.671
Base-Backbone interact. energy: 0.271
local terms energy: -279.685854
where:
bonds (distance) C4'-P energy: -56.539
bonds (distance) P-C4' energy: -61.213
flat angles C4'-P-C4' energy: -59.942
flat angles P-C4'-P energy: -46.097
tors. eta vs tors. theta energy: -55.895
Dist. restrs. and SS energy: 11.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -864.428134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.428134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.510700 (E_RNA)
where:
Base-Base interactions energy: -629.810
where: short stacking energy: -249.721
Base-Backbone interact. energy: -1.914
local terms energy: -235.786289
where:
bonds (distance) C4'-P energy: -46.091
bonds (distance) P-C4' energy: -57.633
flat angles C4'-P-C4' energy: -50.468
flat angles P-C4'-P energy: -31.472
tors. eta vs tors. theta energy: -50.122
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: 1, replica: 6
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1251.727240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.727240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.964888 (E_RNA)
where:
Base-Base interactions energy: -870.930
where: short stacking energy: -373.629
Base-Backbone interact. energy: -3.020
local terms energy: -382.015281
where:
bonds (distance) C4'-P energy: -64.986
bonds (distance) P-C4' energy: -64.693
flat angles C4'-P-C4' energy: -80.103
flat angles P-C4'-P energy: -58.692
tors. eta vs tors. theta energy: -113.540
Dist. restrs. and SS energy: 4.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1230.522078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.522078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.636209 (E_RNA)
where:
Base-Base interactions energy: -866.591
where: short stacking energy: -342.679
Base-Backbone interact. energy: -1.303
local terms energy: -365.742194
where:
bonds (distance) C4'-P energy: -62.627
bonds (distance) P-C4' energy: -70.786
flat angles C4'-P-C4' energy: -73.503
flat angles P-C4'-P energy: -55.741
tors. eta vs tors. theta energy: -103.085
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: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1178.352546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.352546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.115895 (E_RNA)
where:
Base-Base interactions energy: -829.936
where: short stacking energy: -347.738
Base-Backbone interact. energy: -1.029
local terms energy: -350.150465
where:
bonds (distance) C4'-P energy: -63.679
bonds (distance) P-C4' energy: -68.162
flat angles C4'-P-C4' energy: -71.393
flat angles P-C4'-P energy: -49.825
tors. eta vs tors. theta energy: -97.091
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: 4, replica: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1135.454752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.454752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.715532 (E_RNA)
where:
Base-Base interactions energy: -780.189
where: short stacking energy: -307.541
Base-Backbone interact. energy: 2.733
local terms energy: -362.260318
where:
bonds (distance) C4'-P energy: -68.237
bonds (distance) P-C4' energy: -77.357
flat angles C4'-P-C4' energy: -80.152
flat angles P-C4'-P energy: -44.982
tors. eta vs tors. theta energy: -91.532
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: 5, replica: 7
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1103.296971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.296971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.162404 (E_RNA)
where:
Base-Base interactions energy: -773.576
where: short stacking energy: -297.816
Base-Backbone interact. energy: 1.745
local terms energy: -336.331936
where:
bonds (distance) C4'-P energy: -71.068
bonds (distance) P-C4' energy: -67.389
flat angles C4'-P-C4' energy: -69.883
flat angles P-C4'-P energy: -48.528
tors. eta vs tors. theta energy: -79.464
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: 6, replica: 10
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1028.145239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.145239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.180579 (E_RNA)
where:
Base-Base interactions energy: -721.637
where: short stacking energy: -293.079
Base-Backbone interact. energy: -1.046
local terms energy: -311.497549
where:
bonds (distance) C4'-P energy: -50.068
bonds (distance) P-C4' energy: -72.693
flat angles C4'-P-C4' energy: -72.801
flat angles P-C4'-P energy: -36.980
tors. eta vs tors. theta energy: -78.955
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: 7, replica: 8
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -961.369219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.369219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.400926 (E_RNA)
where:
Base-Base interactions energy: -677.140
where: short stacking energy: -282.870
Base-Backbone interact. energy: 2.190
local terms energy: -294.451254
where:
bonds (distance) C4'-P energy: -49.068
bonds (distance) P-C4' energy: -69.469
flat angles C4'-P-C4' energy: -62.366
flat angles P-C4'-P energy: -39.934
tors. eta vs tors. theta energy: -73.614
Dist. restrs. and SS energy: 8.032 (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: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -951.509097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.509097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.658329 (E_RNA)
where:
Base-Base interactions energy: -659.036
where: short stacking energy: -264.791
Base-Backbone interact. energy: -1.495
local terms energy: -292.127543
where:
bonds (distance) C4'-P energy: -61.723
bonds (distance) P-C4' energy: -53.879
flat angles C4'-P-C4' energy: -62.525
flat angles P-C4'-P energy: -47.781
tors. eta vs tors. theta energy: -66.219
Dist. restrs. and SS energy: 1.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -893.870027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.870027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.690518 (E_RNA)
where:
Base-Base interactions energy: -647.428
where: short stacking energy: -247.122
Base-Backbone interact. energy: 4.937
local terms energy: -254.200046
where:
bonds (distance) C4'-P energy: -49.883
bonds (distance) P-C4' energy: -60.533
flat angles C4'-P-C4' energy: -51.775
flat angles P-C4'-P energy: -37.432
tors. eta vs tors. theta energy: -54.577
Dist. restrs. and SS energy: 2.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -862.312820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.312820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.748458 (E_RNA)
where:
Base-Base interactions energy: -615.781
where: short stacking energy: -225.542
Base-Backbone interact. energy: -0.889
local terms energy: -247.078367
where:
bonds (distance) C4'-P energy: -39.404
bonds (distance) P-C4' energy: -53.184
flat angles C4'-P-C4' energy: -57.650
flat angles P-C4'-P energy: -43.909
tors. eta vs tors. theta energy: -52.931
Dist. restrs. and SS energy: 1.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1262.121747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.121747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.441389 (E_RNA)
where:
Base-Base interactions energy: -888.841
where: short stacking energy: -358.392
Base-Backbone interact. energy: 0.655
local terms energy: -377.254821
where:
bonds (distance) C4'-P energy: -69.826
bonds (distance) P-C4' energy: -71.051
flat angles C4'-P-C4' energy: -80.518
flat angles P-C4'-P energy: -50.945
tors. eta vs tors. theta energy: -104.915
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: 2, replica: 4
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1218.442613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.442613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.140525 (E_RNA)
where:
Base-Base interactions energy: -855.455
where: short stacking energy: -333.793
Base-Backbone interact. energy: -0.857
local terms energy: -365.828531
where:
bonds (distance) C4'-P energy: -61.222
bonds (distance) P-C4' energy: -77.134
flat angles C4'-P-C4' energy: -78.811
flat angles P-C4'-P energy: -49.732
tors. eta vs tors. theta energy: -98.930
Dist. restrs. and SS energy: 3.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1203.321591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.321591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.549619 (E_RNA)
where:
Base-Base interactions energy: -836.925
where: short stacking energy: -352.070
Base-Backbone interact. energy: -1.146
local terms energy: -369.478798
where:
bonds (distance) C4'-P energy: -66.773
bonds (distance) P-C4' energy: -58.291
flat angles C4'-P-C4' energy: -80.224
flat angles P-C4'-P energy: -58.687
tors. eta vs tors. theta energy: -105.503
Dist. restrs. and SS energy: 4.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1098.238354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.238354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.786150 (E_RNA)
where:
Base-Base interactions energy: -769.234
where: short stacking energy: -322.909
Base-Backbone interact. energy: 0.412
local terms energy: -332.963961
where:
bonds (distance) C4'-P energy: -59.303
bonds (distance) P-C4' energy: -64.648
flat angles C4'-P-C4' energy: -72.093
flat angles P-C4'-P energy: -46.550
tors. eta vs tors. theta energy: -90.370
Dist. restrs. and SS energy: 3.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1075.874195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.874195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.482472 (E_RNA)
where:
Base-Base interactions energy: -775.472
where: short stacking energy: -309.750
Base-Backbone interact. energy: 1.045
local terms energy: -312.055341
where:
bonds (distance) C4'-P energy: -62.726
bonds (distance) P-C4' energy: -59.170
flat angles C4'-P-C4' energy: -66.935
flat angles P-C4'-P energy: -41.160
tors. eta vs tors. theta energy: -82.064
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: 6, replica: 10
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1053.037621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.037621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.314031 (E_RNA)
where:
Base-Base interactions energy: -738.573
where: short stacking energy: -302.475
Base-Backbone interact. energy: -1.681
local terms energy: -318.059692
where:
bonds (distance) C4'-P energy: -60.618
bonds (distance) P-C4' energy: -47.007
flat angles C4'-P-C4' energy: -80.968
flat angles P-C4'-P energy: -47.166
tors. eta vs tors. theta energy: -82.300
Dist. restrs. and SS energy: 5.276 (S_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: 428
Temperature: 1.200000
Total energy: -990.741813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.741813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.278281 (E_RNA)
where:
Base-Base interactions energy: -714.836
where: short stacking energy: -296.493
Base-Backbone interact. energy: -1.553
local terms energy: -276.889998
where:
bonds (distance) C4'-P energy: -51.855
bonds (distance) P-C4' energy: -48.832
flat angles C4'-P-C4' energy: -63.757
flat angles P-C4'-P energy: -38.432
tors. eta vs tors. theta energy: -74.013
Dist. restrs. and SS energy: 2.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -937.422726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.422726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.854583 (E_RNA)
where:
Base-Base interactions energy: -670.190
where: short stacking energy: -263.702
Base-Backbone interact. energy: 0.072
local terms energy: -273.736297
where:
bonds (distance) C4'-P energy: -72.113
bonds (distance) P-C4' energy: -56.579
flat angles C4'-P-C4' energy: -67.751
flat angles P-C4'-P energy: -27.248
tors. eta vs tors. theta energy: -50.046
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: 9, replica: 3
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -898.885309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.885309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.232571 (E_RNA)
where:
Base-Base interactions energy: -620.140
where: short stacking energy: -258.534
Base-Backbone interact. energy: -0.689
local terms energy: -284.403456
where:
bonds (distance) C4'-P energy: -60.126
bonds (distance) P-C4' energy: -48.826
flat angles C4'-P-C4' energy: -70.032
flat angles P-C4'-P energy: -41.669
tors. eta vs tors. theta energy: -63.750
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: 10, replica: 5
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -851.316380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.316380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.094963 (E_RNA)
where:
Base-Base interactions energy: -627.519
where: short stacking energy: -238.430
Base-Backbone interact. energy: 1.161
local terms energy: -229.737223
where:
bonds (distance) C4'-P energy: -54.468
bonds (distance) P-C4' energy: -37.890
flat angles C4'-P-C4' energy: -57.834
flat angles P-C4'-P energy: -32.255
tors. eta vs tors. theta energy: -47.290
Dist. restrs. and SS energy: 4.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1239.812985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.812985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.835763 (E_RNA)
where:
Base-Base interactions energy: -844.466
where: short stacking energy: -348.163
Base-Backbone interact. energy: -1.055
local terms energy: -396.314570
where:
bonds (distance) C4'-P energy: -80.334
bonds (distance) P-C4' energy: -71.983
flat angles C4'-P-C4' energy: -78.510
flat angles P-C4'-P energy: -56.735
tors. eta vs tors. theta energy: -108.752
Dist. restrs. and SS energy: 2.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1245.538897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.538897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.209550 (E_RNA)
where:
Base-Base interactions energy: -863.450
where: short stacking energy: -345.584
Base-Backbone interact. energy: -4.601
local terms energy: -382.157890
where:
bonds (distance) C4'-P energy: -73.593
bonds (distance) P-C4' energy: -71.599
flat angles C4'-P-C4' energy: -76.964
flat angles P-C4'-P energy: -55.902
tors. eta vs tors. theta energy: -104.100
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: 3, replica: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1197.155452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.155452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.904831 (E_RNA)
where:
Base-Base interactions energy: -841.563
where: short stacking energy: -359.852
Base-Backbone interact. energy: -3.028
local terms energy: -355.313476
where:
bonds (distance) C4'-P energy: -64.427
bonds (distance) P-C4' energy: -62.819
flat angles C4'-P-C4' energy: -71.388
flat angles P-C4'-P energy: -54.324
tors. eta vs tors. theta energy: -102.355
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: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1114.910271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.910271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.760629 (E_RNA)
where:
Base-Base interactions energy: -773.449
where: short stacking energy: -340.177
Base-Backbone interact. energy: -0.443
local terms energy: -344.868308
where:
bonds (distance) C4'-P energy: -53.712
bonds (distance) P-C4' energy: -57.357
flat angles C4'-P-C4' energy: -86.105
flat angles P-C4'-P energy: -55.864
tors. eta vs tors. theta energy: -91.831
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: 5, replica: 7
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1079.753862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.753862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.057380 (E_RNA)
where:
Base-Base interactions energy: -758.007
where: short stacking energy: -302.533
Base-Backbone interact. energy: -1.348
local terms energy: -329.702217
where:
bonds (distance) C4'-P energy: -67.316
bonds (distance) P-C4' energy: -66.753
flat angles C4'-P-C4' energy: -69.525
flat angles P-C4'-P energy: -47.003
tors. eta vs tors. theta energy: -79.105
Dist. restrs. and SS energy: 9.304 (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: 429
Temperature: 1.150000
Total energy: -1030.339728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.339728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.673463 (E_RNA)
where:
Base-Base interactions energy: -720.410
where: short stacking energy: -302.968
Base-Backbone interact. energy: -1.385
local terms energy: -312.878406
where:
bonds (distance) C4'-P energy: -52.847
bonds (distance) P-C4' energy: -68.872
flat angles C4'-P-C4' energy: -64.681
flat angles P-C4'-P energy: -48.540
tors. eta vs tors. theta energy: -77.938
Dist. restrs. and SS energy: 4.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -969.466583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.466583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.925623 (E_RNA)
where:
Base-Base interactions energy: -668.794
where: short stacking energy: -275.241
Base-Backbone interact. energy: -1.304
local terms energy: -301.827842
where:
bonds (distance) C4'-P energy: -56.910
bonds (distance) P-C4' energy: -63.791
flat angles C4'-P-C4' energy: -61.880
flat angles P-C4'-P energy: -42.519
tors. eta vs tors. theta energy: -76.727
Dist. restrs. and SS energy: 2.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -917.009844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.009844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.515591 (E_RNA)
where:
Base-Base interactions energy: -647.963
where: short stacking energy: -255.056
Base-Backbone interact. energy: 9.034
local terms energy: -284.586553
where:
bonds (distance) C4'-P energy: -51.615
bonds (distance) P-C4' energy: -59.273
flat angles C4'-P-C4' energy: -69.985
flat angles P-C4'-P energy: -40.436
tors. eta vs tors. theta energy: -63.277
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: 9, replica: 8
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -919.945993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.945993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.138749 (E_RNA)
where:
Base-Base interactions energy: -623.154
where: short stacking energy: -243.155
Base-Backbone interact. energy: -0.638
local terms energy: -299.346608
where:
bonds (distance) C4'-P energy: -62.162
bonds (distance) P-C4' energy: -63.315
flat angles C4'-P-C4' energy: -64.254
flat angles P-C4'-P energy: -45.737
tors. eta vs tors. theta energy: -63.879
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: 10, replica: 5
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -890.664599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.664599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.153334 (E_RNA)
where:
Base-Base interactions energy: -634.185
where: short stacking energy: -239.466
Base-Backbone interact. energy: -2.286
local terms energy: -255.682083
where:
bonds (distance) C4'-P energy: -52.235
bonds (distance) P-C4' energy: -57.227
flat angles C4'-P-C4' energy: -56.111
flat angles P-C4'-P energy: -36.384
tors. eta vs tors. theta energy: -53.726
Dist. restrs. and SS energy: 1.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1234.502110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.502110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.350355 (E_RNA)
where:
Base-Base interactions energy: -854.056
where: short stacking energy: -354.787
Base-Backbone interact. energy: 0.063
local terms energy: -383.356817
where:
bonds (distance) C4'-P energy: -70.134
bonds (distance) P-C4' energy: -77.191
flat angles C4'-P-C4' energy: -80.511
flat angles P-C4'-P energy: -53.023
tors. eta vs tors. theta energy: -102.498
Dist. restrs. and SS energy: 2.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1236.957754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.957754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.368523 (E_RNA)
where:
Base-Base interactions energy: -881.154
where: short stacking energy: -366.971
Base-Backbone interact. energy: -3.888
local terms energy: -356.326056
where:
bonds (distance) C4'-P energy: -62.857
bonds (distance) P-C4' energy: -63.775
flat angles C4'-P-C4' energy: -72.191
flat angles P-C4'-P energy: -50.337
tors. eta vs tors. theta energy: -107.166
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: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1188.060866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.060866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.916366 (E_RNA)
where:
Base-Base interactions energy: -829.487
where: short stacking energy: -351.106
Base-Backbone interact. energy: -0.387
local terms energy: -361.043200
where:
bonds (distance) C4'-P energy: -64.062
bonds (distance) P-C4' energy: -68.623
flat angles C4'-P-C4' energy: -80.711
flat angles P-C4'-P energy: -48.533
tors. eta vs tors. theta energy: -99.115
Dist. restrs. and SS energy: 2.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1098.904994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.904994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.047019 (E_RNA)
where:
Base-Base interactions energy: -772.948
where: short stacking energy: -330.261
Base-Backbone interact. energy: -2.726
local terms energy: -326.372749
where:
bonds (distance) C4'-P energy: -63.452
bonds (distance) P-C4' energy: -55.837
flat angles C4'-P-C4' energy: -76.642
flat angles P-C4'-P energy: -41.972
tors. eta vs tors. theta energy: -88.470
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: 5, replica: 7
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1072.660241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.660241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.239585 (E_RNA)
where:
Base-Base interactions energy: -765.824
where: short stacking energy: -313.148
Base-Backbone interact. energy: -2.552
local terms energy: -312.863696
where:
bonds (distance) C4'-P energy: -56.238
bonds (distance) P-C4' energy: -55.700
flat angles C4'-P-C4' energy: -72.230
flat angles P-C4'-P energy: -44.523
tors. eta vs tors. theta energy: -84.173
Dist. restrs. and SS energy: 8.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1047.475509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.475509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.031872 (E_RNA)
where:
Base-Base interactions energy: -721.178
where: short stacking energy: -276.498
Base-Backbone interact. energy: -3.530
local terms energy: -325.324036
where:
bonds (distance) C4'-P energy: -52.378
bonds (distance) P-C4' energy: -65.180
flat angles C4'-P-C4' energy: -72.709
flat angles P-C4'-P energy: -61.733
tors. eta vs tors. theta energy: -73.324
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: 7, replica: 3
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -981.309015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.309015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.094328 (E_RNA)
where:
Base-Base interactions energy: -693.177
where: short stacking energy: -283.875
Base-Backbone interact. energy: 5.125
local terms energy: -301.042549
where:
bonds (distance) C4'-P energy: -47.862
bonds (distance) P-C4' energy: -53.291
flat angles C4'-P-C4' energy: -70.403
flat angles P-C4'-P energy: -49.184
tors. eta vs tors. theta energy: -80.302
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: 8, replica: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -992.309887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.309887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.435588 (E_RNA)
where:
Base-Base interactions energy: -702.823
where: short stacking energy: -280.586
Base-Backbone interact. energy: -3.960
local terms energy: -286.651769
where:
bonds (distance) C4'-P energy: -52.092
bonds (distance) P-C4' energy: -57.347
flat angles C4'-P-C4' energy: -62.573
flat angles P-C4'-P energy: -42.141
tors. eta vs tors. theta energy: -72.498
Dist. restrs. and SS energy: 1.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -874.867753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.867753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.390443 (E_RNA)
where:
Base-Base interactions energy: -615.173
where: short stacking energy: -242.782
Base-Backbone interact. energy: -0.164
local terms energy: -264.053480
where:
bonds (distance) C4'-P energy: -64.787
bonds (distance) P-C4' energy: -48.474
flat angles C4'-P-C4' energy: -65.833
flat angles P-C4'-P energy: -41.425
tors. eta vs tors. theta energy: -43.535
Dist. restrs. and SS energy: 4.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -911.214869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.214869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.470518 (E_RNA)
where:
Base-Base interactions energy: -642.929
where: short stacking energy: -265.355
Base-Backbone interact. energy: -0.457
local terms energy: -272.084793
where:
bonds (distance) C4'-P energy: -51.380
bonds (distance) P-C4' energy: -52.567
flat angles C4'-P-C4' energy: -59.456
flat angles P-C4'-P energy: -39.227
tors. eta vs tors. theta energy: -69.455
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: 1, replica: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1226.296897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.296897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.790402 (E_RNA)
where:
Base-Base interactions energy: -874.685
where: short stacking energy: -356.043
Base-Backbone interact. energy: -1.942
local terms energy: -355.163649
where:
bonds (distance) C4'-P energy: -60.363
bonds (distance) P-C4' energy: -68.039
flat angles C4'-P-C4' energy: -79.372
flat angles P-C4'-P energy: -51.434
tors. eta vs tors. theta energy: -95.956
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: 2, replica: 4
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1270.456909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.456909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.138689 (E_RNA)
where:
Base-Base interactions energy: -903.096
where: short stacking energy: -372.782
Base-Backbone interact. energy: -2.558
local terms energy: -368.485133
where:
bonds (distance) C4'-P energy: -66.605
bonds (distance) P-C4' energy: -60.483
flat angles C4'-P-C4' energy: -73.394
flat angles P-C4'-P energy: -59.379
tors. eta vs tors. theta energy: -108.624
Dist. restrs. and SS energy: 3.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1184.983890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.983890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.672624 (E_RNA)
where:
Base-Base interactions energy: -842.967
where: short stacking energy: -349.608
Base-Backbone interact. energy: -3.051
local terms energy: -342.655095
where:
bonds (distance) C4'-P energy: -57.877
bonds (distance) P-C4' energy: -62.500
flat angles C4'-P-C4' energy: -75.716
flat angles P-C4'-P energy: -47.951
tors. eta vs tors. theta energy: -98.611
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: 2
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1140.588958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.588958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.502636 (E_RNA)
where:
Base-Base interactions energy: -785.106
where: short stacking energy: -338.363
Base-Backbone interact. energy: 0.442
local terms energy: -358.839040
where:
bonds (distance) C4'-P energy: -64.060
bonds (distance) P-C4' energy: -69.197
flat angles C4'-P-C4' energy: -83.772
flat angles P-C4'-P energy: -43.782
tors. eta vs tors. theta energy: -98.028
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: 5, replica: 7
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1068.357206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.357206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.409446 (E_RNA)
where:
Base-Base interactions energy: -741.895
where: short stacking energy: -306.696
Base-Backbone interact. energy: -1.318
local terms energy: -332.196430
where:
bonds (distance) C4'-P energy: -55.965
bonds (distance) P-C4' energy: -69.029
flat angles C4'-P-C4' energy: -81.032
flat angles P-C4'-P energy: -50.360
tors. eta vs tors. theta energy: -75.811
Dist. restrs. and SS energy: 7.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1033.482284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.482284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.873898 (E_RNA)
where:
Base-Base interactions energy: -735.065
where: short stacking energy: -295.790
Base-Backbone interact. energy: -0.779
local terms energy: -301.029809
where:
bonds (distance) C4'-P energy: -57.356
bonds (distance) P-C4' energy: -72.524
flat angles C4'-P-C4' energy: -65.383
flat angles P-C4'-P energy: -42.632
tors. eta vs tors. theta energy: -63.135
Dist. restrs. and SS energy: 3.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -964.638919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.638919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.129391 (E_RNA)
where:
Base-Base interactions energy: -679.816
where: short stacking energy: -256.602
Base-Backbone interact. energy: -0.708
local terms energy: -288.605997
where:
bonds (distance) C4'-P energy: -54.809
bonds (distance) P-C4' energy: -59.951
flat angles C4'-P-C4' energy: -62.196
flat angles P-C4'-P energy: -47.331
tors. eta vs tors. theta energy: -64.318
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: 8, replica: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -986.955935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.955935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.885503 (E_RNA)
where:
Base-Base interactions energy: -690.348
where: short stacking energy: -262.084
Base-Backbone interact. energy: -2.844
local terms energy: -294.693631
where:
bonds (distance) C4'-P energy: -55.190
bonds (distance) P-C4' energy: -65.244
flat angles C4'-P-C4' energy: -61.145
flat angles P-C4'-P energy: -39.454
tors. eta vs tors. theta energy: -73.662
Dist. restrs. and SS energy: 0.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -927.721572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.721572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.470604 (E_RNA)
where:
Base-Base interactions energy: -668.399
where: short stacking energy: -261.586
Base-Backbone interact. energy: -0.489
local terms energy: -261.581717
where:
bonds (distance) C4'-P energy: -56.563
bonds (distance) P-C4' energy: -41.561
flat angles C4'-P-C4' energy: -70.031
flat angles P-C4'-P energy: -29.778
tors. eta vs tors. theta energy: -63.649
Dist. restrs. and SS energy: 2.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -892.665650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.665650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.518384 (E_RNA)
where:
Base-Base interactions energy: -626.852
where: short stacking energy: -249.936
Base-Backbone interact. energy: -2.286
local terms energy: -273.380233
where:
bonds (distance) C4'-P energy: -41.940
bonds (distance) P-C4' energy: -71.992
flat angles C4'-P-C4' energy: -61.896
flat angles P-C4'-P energy: -46.018
tors. eta vs tors. theta energy: -51.534
Dist. restrs. and SS energy: 9.853 (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: 4
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1276.080543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.080543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.928753 (E_RNA)
where:
Base-Base interactions energy: -884.535
where: short stacking energy: -353.682
Base-Backbone interact. energy: -0.677
local terms energy: -393.716722
where:
bonds (distance) C4'-P energy: -71.065
bonds (distance) P-C4' energy: -74.397
flat angles C4'-P-C4' energy: -73.764
flat angles P-C4'-P energy: -62.418
tors. eta vs tors. theta energy: -112.072
Dist. restrs. and SS energy: 2.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1204.770298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.770298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.657950 (E_RNA)
where:
Base-Base interactions energy: -854.245
where: short stacking energy: -357.618
Base-Backbone interact. energy: -0.604
local terms energy: -353.809362
where:
bonds (distance) C4'-P energy: -61.088
bonds (distance) P-C4' energy: -61.279
flat angles C4'-P-C4' energy: -73.096
flat angles P-C4'-P energy: -55.355
tors. eta vs tors. theta energy: -102.991
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: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1189.246271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.246271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.871398 (E_RNA)
where:
Base-Base interactions energy: -827.311
where: short stacking energy: -343.039
Base-Backbone interact. energy: 0.815
local terms energy: -367.375144
where:
bonds (distance) C4'-P energy: -69.914
bonds (distance) P-C4' energy: -64.562
flat angles C4'-P-C4' energy: -80.076
flat angles P-C4'-P energy: -57.740
tors. eta vs tors. theta energy: -95.083
Dist. restrs. and SS energy: 4.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1112.827416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.827416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.132524 (E_RNA)
where:
Base-Base interactions energy: -758.959
where: short stacking energy: -311.213
Base-Backbone interact. energy: -2.780
local terms energy: -356.392992
where:
bonds (distance) C4'-P energy: -68.359
bonds (distance) P-C4' energy: -59.577
flat angles C4'-P-C4' energy: -80.544
flat angles P-C4'-P energy: -50.427
tors. eta vs tors. theta energy: -97.486
Dist. restrs. and SS energy: 5.305 (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: 7
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1090.737665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.737665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.724460 (E_RNA)
where:
Base-Base interactions energy: -765.547
where: short stacking energy: -298.099
Base-Backbone interact. energy: -0.703
local terms energy: -328.475192
where:
bonds (distance) C4'-P energy: -68.172
bonds (distance) P-C4' energy: -54.991
flat angles C4'-P-C4' energy: -70.922
flat angles P-C4'-P energy: -50.355
tors. eta vs tors. theta energy: -84.034
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: 6, replica: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1052.814475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.814475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.785443 (E_RNA)
where:
Base-Base interactions energy: -735.430
where: short stacking energy: -295.506
Base-Backbone interact. energy: -2.029
local terms energy: -320.326163
where:
bonds (distance) C4'-P energy: -63.552
bonds (distance) P-C4' energy: -63.340
flat angles C4'-P-C4' energy: -70.148
flat angles P-C4'-P energy: -46.245
tors. eta vs tors. theta energy: -77.041
Dist. restrs. and SS energy: 4.971 (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: 1
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -970.738880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.738880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.718623 (E_RNA)
where:
Base-Base interactions energy: -685.007
where: short stacking energy: -256.339
Base-Backbone interact. energy: -1.933
local terms energy: -285.779348
where:
bonds (distance) C4'-P energy: -51.642
bonds (distance) P-C4' energy: -64.785
flat angles C4'-P-C4' energy: -62.510
flat angles P-C4'-P energy: -44.601
tors. eta vs tors. theta energy: -62.241
Dist. restrs. and SS energy: 1.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -921.665237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.665237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.268300 (E_RNA)
where:
Base-Base interactions energy: -645.785
where: short stacking energy: -250.287
Base-Backbone interact. energy: -0.349
local terms energy: -281.134035
where:
bonds (distance) C4'-P energy: -57.211
bonds (distance) P-C4' energy: -59.683
flat angles C4'-P-C4' energy: -62.867
flat angles P-C4'-P energy: -36.605
tors. eta vs tors. theta energy: -64.768
Dist. restrs. and SS energy: 5.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -949.269079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.269079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.926249 (E_RNA)
where:
Base-Base interactions energy: -655.456
where: short stacking energy: -254.121
Base-Backbone interact. energy: -0.617
local terms energy: -294.852645
where:
bonds (distance) C4'-P energy: -48.592
bonds (distance) P-C4' energy: -68.315
flat angles C4'-P-C4' energy: -69.843
flat angles P-C4'-P energy: -39.878
tors. eta vs tors. theta energy: -68.224
Dist. restrs. and SS energy: 1.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -929.800211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.800211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.368262 (E_RNA)
where:
Base-Base interactions energy: -646.100
where: short stacking energy: -265.962
Base-Backbone interact. energy: -0.707
local terms energy: -285.561570
where:
bonds (distance) C4'-P energy: -52.121
bonds (distance) P-C4' energy: -42.603
flat angles C4'-P-C4' energy: -64.013
flat angles P-C4'-P energy: -49.493
tors. eta vs tors. theta energy: -77.331
Dist. restrs. and SS energy: 2.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1294.912105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.912105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.157874 (E_RNA)
where:
Base-Base interactions energy: -902.098
where: short stacking energy: -370.891
Base-Backbone interact. energy: -2.724
local terms energy: -393.335800
where:
bonds (distance) C4'-P energy: -64.324
bonds (distance) P-C4' energy: -79.964
flat angles C4'-P-C4' energy: -78.909
flat angles P-C4'-P energy: -61.531
tors. eta vs tors. theta energy: -108.607
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: 2, replica: 6
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1209.140395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.140395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.015559 (E_RNA)
where:
Base-Base interactions energy: -846.244
where: short stacking energy: -360.982
Base-Backbone interact. energy: -3.068
local terms energy: -363.703634
where:
bonds (distance) C4'-P energy: -69.957
bonds (distance) P-C4' energy: -62.132
flat angles C4'-P-C4' energy: -80.485
flat angles P-C4'-P energy: -53.194
tors. eta vs tors. theta energy: -97.936
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: 3, replica: 9
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1204.868643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.868643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.771469 (E_RNA)
where:
Base-Base interactions energy: -856.427
where: short stacking energy: -361.835
Base-Backbone interact. energy: -2.599
local terms energy: -347.745737
where:
bonds (distance) C4'-P energy: -45.381
bonds (distance) P-C4' energy: -64.818
flat angles C4'-P-C4' energy: -68.566
flat angles P-C4'-P energy: -54.312
tors. eta vs tors. theta energy: -114.668
Dist. restrs. and SS energy: 1.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1132.938755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.938755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.827280 (E_RNA)
where:
Base-Base interactions energy: -784.302
where: short stacking energy: -328.160
Base-Backbone interact. energy: -0.135
local terms energy: -356.390714
where:
bonds (distance) C4'-P energy: -71.351
bonds (distance) P-C4' energy: -61.972
flat angles C4'-P-C4' energy: -77.060
flat angles P-C4'-P energy: -45.373
tors. eta vs tors. theta energy: -100.634
Dist. restrs. and SS energy: 7.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1082.821376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.821376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.743618 (E_RNA)
where:
Base-Base interactions energy: -745.296
where: short stacking energy: -305.955
Base-Backbone interact. energy: -0.301
local terms energy: -338.146729
where:
bonds (distance) C4'-P energy: -67.410
bonds (distance) P-C4' energy: -70.955
flat angles C4'-P-C4' energy: -72.658
flat angles P-C4'-P energy: -44.789
tors. eta vs tors. theta energy: -82.334
Dist. restrs. and SS energy: 0.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1091.007977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.007977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.101121 (E_RNA)
where:
Base-Base interactions energy: -756.245
where: short stacking energy: -296.235
Base-Backbone interact. energy: -2.006
local terms energy: -335.850277
where:
bonds (distance) C4'-P energy: -45.926
bonds (distance) P-C4' energy: -69.110
flat angles C4'-P-C4' energy: -70.858
flat angles P-C4'-P energy: -57.660
tors. eta vs tors. theta energy: -92.296
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: 7, replica: 1
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1000.771560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.771560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.690218 (E_RNA)
where:
Base-Base interactions energy: -680.497
where: short stacking energy: -262.038
Base-Backbone interact. energy: -1.183
local terms energy: -320.010920
where:
bonds (distance) C4'-P energy: -59.057
bonds (distance) P-C4' energy: -64.150
flat angles C4'-P-C4' energy: -73.473
flat angles P-C4'-P energy: -55.034
tors. eta vs tors. theta energy: -68.297
Dist. restrs. and SS energy: 0.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -932.870255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.870255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.341137 (E_RNA)
where:
Base-Base interactions energy: -638.161
where: short stacking energy: -244.761
Base-Backbone interact. energy: -0.645
local terms energy: -299.535101
where:
bonds (distance) C4'-P energy: -52.317
bonds (distance) P-C4' energy: -66.168
flat angles C4'-P-C4' energy: -67.990
flat angles P-C4'-P energy: -46.485
tors. eta vs tors. theta energy: -66.576
Dist. restrs. and SS energy: 5.471 (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: 5
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -913.971434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.971434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.257076 (E_RNA)
where:
Base-Base interactions energy: -642.417
where: short stacking energy: -262.318
Base-Backbone interact. energy: -3.203
local terms energy: -271.636685
where:
bonds (distance) C4'-P energy: -44.967
bonds (distance) P-C4' energy: -58.362
flat angles C4'-P-C4' energy: -53.699
flat angles P-C4'-P energy: -41.377
tors. eta vs tors. theta energy: -73.232
Dist. restrs. and SS energy: 3.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -917.357720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.357720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.721470 (E_RNA)
where:
Base-Base interactions energy: -642.849
where: short stacking energy: -246.824
Base-Backbone interact. energy: -1.651
local terms energy: -277.221181
where:
bonds (distance) C4'-P energy: -47.237
bonds (distance) P-C4' energy: -54.905
flat angles C4'-P-C4' energy: -70.722
flat angles P-C4'-P energy: -42.059
tors. eta vs tors. theta energy: -62.298
Dist. restrs. and SS energy: 4.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1273.748112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.748112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.868874 (E_RNA)
where:
Base-Base interactions energy: -905.285
where: short stacking energy: -361.942
Base-Backbone interact. energy: -1.773
local terms energy: -369.811112
where:
bonds (distance) C4'-P energy: -64.102
bonds (distance) P-C4' energy: -74.618
flat angles C4'-P-C4' energy: -72.850
flat angles P-C4'-P energy: -55.099
tors. eta vs tors. theta energy: -103.141
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: 6
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1214.905869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.905869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.984463 (E_RNA)
where:
Base-Base interactions energy: -838.090
where: short stacking energy: -354.854
Base-Backbone interact. energy: -0.017
local terms energy: -380.876744
where:
bonds (distance) C4'-P energy: -69.355
bonds (distance) P-C4' energy: -72.232
flat angles C4'-P-C4' energy: -85.740
flat angles P-C4'-P energy: -49.852
tors. eta vs tors. theta energy: -103.698
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: 3, replica: 9
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1177.434182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.434182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.824279 (E_RNA)
where:
Base-Base interactions energy: -807.204
where: short stacking energy: -338.792
Base-Backbone interact. energy: -2.423
local terms energy: -373.197617
where:
bonds (distance) C4'-P energy: -69.830
bonds (distance) P-C4' energy: -72.030
flat angles C4'-P-C4' energy: -80.098
flat angles P-C4'-P energy: -54.282
tors. eta vs tors. theta energy: -96.958
Dist. restrs. and SS energy: 5.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1141.714844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.714844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.162402 (E_RNA)
where:
Base-Base interactions energy: -798.963
where: short stacking energy: -335.024
Base-Backbone interact. energy: -0.241
local terms energy: -345.958306
where:
bonds (distance) C4'-P energy: -55.823
bonds (distance) P-C4' energy: -76.430
flat angles C4'-P-C4' energy: -67.912
flat angles P-C4'-P energy: -50.499
tors. eta vs tors. theta energy: -95.294
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: 2
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1091.156436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.156436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.105966 (E_RNA)
where:
Base-Base interactions energy: -764.794
where: short stacking energy: -319.617
Base-Backbone interact. energy: -2.321
local terms energy: -328.991528
where:
bonds (distance) C4'-P energy: -63.030
bonds (distance) P-C4' energy: -61.594
flat angles C4'-P-C4' energy: -66.734
flat angles P-C4'-P energy: -51.540
tors. eta vs tors. theta energy: -86.092
Dist. restrs. and SS energy: 4.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1013.842127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.842127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.984993 (E_RNA)
where:
Base-Base interactions energy: -699.011
where: short stacking energy: -282.559
Base-Backbone interact. energy: 2.375
local terms energy: -321.349204
where:
bonds (distance) C4'-P energy: -63.903
bonds (distance) P-C4' energy: -70.290
flat angles C4'-P-C4' energy: -69.640
flat angles P-C4'-P energy: -41.501
tors. eta vs tors. theta energy: -76.015
Dist. restrs. and SS energy: 4.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -986.421291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.421291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.892002 (E_RNA)
where:
Base-Base interactions energy: -689.273
where: short stacking energy: -253.129
Base-Backbone interact. energy: 0.573
local terms energy: -299.191809
where:
bonds (distance) C4'-P energy: -63.984
bonds (distance) P-C4' energy: -57.548
flat angles C4'-P-C4' energy: -66.452
flat angles P-C4'-P energy: -50.570
tors. eta vs tors. theta energy: -60.638
Dist. restrs. and SS energy: 1.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -932.673507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.673507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.166644 (E_RNA)
where:
Base-Base interactions energy: -651.358
where: short stacking energy: -246.959
Base-Backbone interact. energy: 6.018
local terms energy: -292.826696
where:
bonds (distance) C4'-P energy: -59.439
bonds (distance) P-C4' energy: -62.613
flat angles C4'-P-C4' energy: -64.199
flat angles P-C4'-P energy: -46.142
tors. eta vs tors. theta energy: -60.433
Dist. restrs. and SS energy: 5.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -892.989784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.989784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.261970 (E_RNA)
where:
Base-Base interactions energy: -644.033
where: short stacking energy: -243.719
Base-Backbone interact. energy: 0.126
local terms energy: -251.354921
where:
bonds (distance) C4'-P energy: -49.546
bonds (distance) P-C4' energy: -57.368
flat angles C4'-P-C4' energy: -57.348
flat angles P-C4'-P energy: -36.594
tors. eta vs tors. theta energy: -50.499
Dist. restrs. and SS energy: 2.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -845.545966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.545966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.132820 (E_RNA)
where:
Base-Base interactions energy: -608.130
where: short stacking energy: -235.214
Base-Backbone interact. energy: -0.079
local terms energy: -245.923196
where:
bonds (distance) C4'-P energy: -55.027
bonds (distance) P-C4' energy: -43.136
flat angles C4'-P-C4' energy: -58.648
flat angles P-C4'-P energy: -35.749
tors. eta vs tors. theta energy: -53.363
Dist. restrs. and SS energy: 8.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1267.261121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.261121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.728630 (E_RNA)
where:
Base-Base interactions energy: -898.066
where: short stacking energy: -365.508
Base-Backbone interact. energy: -3.176
local terms energy: -368.486828
where:
bonds (distance) C4'-P energy: -51.897
bonds (distance) P-C4' energy: -75.389
flat angles C4'-P-C4' energy: -78.215
flat angles P-C4'-P energy: -59.394
tors. eta vs tors. theta energy: -103.592
Dist. restrs. and SS energy: 2.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1198.124749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.124749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.759092 (E_RNA)
where:
Base-Base interactions energy: -834.957
where: short stacking energy: -355.247
Base-Backbone interact. energy: -3.348
local terms energy: -365.454160
where:
bonds (distance) C4'-P energy: -71.391
bonds (distance) P-C4' energy: -58.181
flat angles C4'-P-C4' energy: -78.186
flat angles P-C4'-P energy: -54.322
tors. eta vs tors. theta energy: -103.374
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: 3, replica: 9
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1193.579864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.579864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.080083 (E_RNA)
where:
Base-Base interactions energy: -826.611
where: short stacking energy: -341.388
Base-Backbone interact. energy: -1.942
local terms energy: -369.526686
where:
bonds (distance) C4'-P energy: -68.237
bonds (distance) P-C4' energy: -68.467
flat angles C4'-P-C4' energy: -79.885
flat angles P-C4'-P energy: -58.870
tors. eta vs tors. theta energy: -94.067
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: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1104.643507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.643507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.529788 (E_RNA)
where:
Base-Base interactions energy: -768.181
where: short stacking energy: -315.084
Base-Backbone interact. energy: -2.615
local terms energy: -336.733991
where:
bonds (distance) C4'-P energy: -66.798
bonds (distance) P-C4' energy: -57.120
flat angles C4'-P-C4' energy: -63.042
flat angles P-C4'-P energy: -54.801
tors. eta vs tors. theta energy: -94.972
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: 7
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1101.038565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.038565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.345145 (E_RNA)
where:
Base-Base interactions energy: -776.445
where: short stacking energy: -328.944
Base-Backbone interact. energy: -1.104
local terms energy: -327.796283
where:
bonds (distance) C4'-P energy: -63.981
bonds (distance) P-C4' energy: -58.103
flat angles C4'-P-C4' energy: -71.152
flat angles P-C4'-P energy: -46.634
tors. eta vs tors. theta energy: -87.925
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: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -989.612513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.612513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.784910 (E_RNA)
where:
Base-Base interactions energy: -694.045
where: short stacking energy: -277.140
Base-Backbone interact. energy: -2.144
local terms energy: -299.595751
where:
bonds (distance) C4'-P energy: -63.698
bonds (distance) P-C4' energy: -63.714
flat angles C4'-P-C4' energy: -61.010
flat angles P-C4'-P energy: -34.155
tors. eta vs tors. theta energy: -77.020
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: 7, replica: 1
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -999.578738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.578738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.967978 (E_RNA)
where:
Base-Base interactions energy: -690.588
where: short stacking energy: -278.657
Base-Backbone interact. energy: -1.927
local terms energy: -309.453337
where:
bonds (distance) C4'-P energy: -53.758
bonds (distance) P-C4' energy: -54.440
flat angles C4'-P-C4' energy: -70.215
flat angles P-C4'-P energy: -52.108
tors. eta vs tors. theta energy: -78.933
Dist. restrs. and SS energy: 2.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -963.017203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.017203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.087059 (E_RNA)
where:
Base-Base interactions energy: -674.869
where: short stacking energy: -280.795
Base-Backbone interact. energy: -0.639
local terms energy: -293.578345
where:
bonds (distance) C4'-P energy: -48.335
bonds (distance) P-C4' energy: -58.911
flat angles C4'-P-C4' energy: -65.544
flat angles P-C4'-P energy: -42.412
tors. eta vs tors. theta energy: -78.377
Dist. restrs. and SS energy: 6.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -883.672711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.672711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.270110 (E_RNA)
where:
Base-Base interactions energy: -607.232
where: short stacking energy: -243.204
Base-Backbone interact. energy: -1.236
local terms energy: -278.802766
where:
bonds (distance) C4'-P energy: -48.910
bonds (distance) P-C4' energy: -62.658
flat angles C4'-P-C4' energy: -58.373
flat angles P-C4'-P energy: -36.934
tors. eta vs tors. theta energy: -71.929
Dist. restrs. and SS energy: 3.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -872.428595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.428595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.483185 (E_RNA)
where:
Base-Base interactions energy: -613.450
where: short stacking energy: -240.774
Base-Backbone interact. energy: -1.075
local terms energy: -262.958097
where:
bonds (distance) C4'-P energy: -39.926
bonds (distance) P-C4' energy: -64.786
flat angles C4'-P-C4' energy: -69.477
flat angles P-C4'-P energy: -28.287
tors. eta vs tors. theta energy: -60.482
Dist. restrs. and SS energy: 5.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1268.905458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.905458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.743935 (E_RNA)
where:
Base-Base interactions energy: -878.287
where: short stacking energy: -346.847
Base-Backbone interact. energy: -2.932
local terms energy: -391.525124
where:
bonds (distance) C4'-P energy: -69.869
bonds (distance) P-C4' energy: -79.309
flat angles C4'-P-C4' energy: -77.786
flat angles P-C4'-P energy: -58.915
tors. eta vs tors. theta energy: -105.646
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: 2, replica: 6
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1214.435896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.435896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.453219 (E_RNA)
where:
Base-Base interactions energy: -846.019
where: short stacking energy: -356.623
Base-Backbone interact. energy: 0.106
local terms energy: -372.540302
where:
bonds (distance) C4'-P energy: -62.144
bonds (distance) P-C4' energy: -66.947
flat angles C4'-P-C4' energy: -81.963
flat angles P-C4'-P energy: -56.357
tors. eta vs tors. theta energy: -105.130
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: 3, replica: 9
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1186.519795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.519795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.681950 (E_RNA)
where:
Base-Base interactions energy: -827.146
where: short stacking energy: -345.499
Base-Backbone interact. energy: 0.319
local terms energy: -363.854951
where:
bonds (distance) C4'-P energy: -69.317
bonds (distance) P-C4' energy: -65.095
flat angles C4'-P-C4' energy: -74.284
flat angles P-C4'-P energy: -54.324
tors. eta vs tors. theta energy: -100.836
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: 4, replica: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1128.502115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.502115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.321660 (E_RNA)
where:
Base-Base interactions energy: -796.134
where: short stacking energy: -332.777
Base-Backbone interact. energy: -2.346
local terms energy: -334.841678
where:
bonds (distance) C4'-P energy: -66.541
bonds (distance) P-C4' energy: -50.238
flat angles C4'-P-C4' energy: -72.851
flat angles P-C4'-P energy: -54.358
tors. eta vs tors. theta energy: -90.852
Dist. restrs. and SS energy: 4.820 (S_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: 436
Temperature: 1.100000
Total energy: -1080.658095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.658095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.460568 (E_RNA)
where:
Base-Base interactions energy: -774.902
where: short stacking energy: -339.677
Base-Backbone interact. energy: -2.319
local terms energy: -308.240016
where:
bonds (distance) C4'-P energy: -69.645
bonds (distance) P-C4' energy: -61.709
flat angles C4'-P-C4' energy: -65.357
flat angles P-C4'-P energy: -31.341
tors. eta vs tors. theta energy: -80.189
Dist. restrs. and SS energy: 4.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -985.665254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.665254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.021943 (E_RNA)
where:
Base-Base interactions energy: -699.608
where: short stacking energy: -292.869
Base-Backbone interact. energy: -0.222
local terms energy: -293.191228
where:
bonds (distance) C4'-P energy: -52.289
bonds (distance) P-C4' energy: -58.792
flat angles C4'-P-C4' energy: -55.509
flat angles P-C4'-P energy: -52.942
tors. eta vs tors. theta energy: -73.659
Dist. restrs. and SS energy: 7.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1021.240821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.240821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.601269 (E_RNA)
where:
Base-Base interactions energy: -700.942
where: short stacking energy: -284.780
Base-Backbone interact. energy: -0.351
local terms energy: -323.308604
where:
bonds (distance) C4'-P energy: -58.891
bonds (distance) P-C4' energy: -63.334
flat angles C4'-P-C4' energy: -72.210
flat angles P-C4'-P energy: -48.250
tors. eta vs tors. theta energy: -80.623
Dist. restrs. and SS energy: 3.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -984.360579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.360579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.303934 (E_RNA)
where:
Base-Base interactions energy: -695.208
where: short stacking energy: -280.256
Base-Backbone interact. energy: -1.756
local terms energy: -292.340260
where:
bonds (distance) C4'-P energy: -54.485
bonds (distance) P-C4' energy: -56.604
flat angles C4'-P-C4' energy: -64.443
flat angles P-C4'-P energy: -47.860
tors. eta vs tors. theta energy: -68.949
Dist. restrs. and SS energy: 4.943 (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: 3
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -888.145475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.145475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.001184 (E_RNA)
where:
Base-Base interactions energy: -627.747
where: short stacking energy: -239.106
Base-Backbone interact. energy: -1.395
local terms energy: -262.858977
where:
bonds (distance) C4'-P energy: -50.255
bonds (distance) P-C4' energy: -66.932
flat angles C4'-P-C4' energy: -61.515
flat angles P-C4'-P energy: -32.983
tors. eta vs tors. theta energy: -51.174
Dist. restrs. and SS energy: 3.856 (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: 8
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -909.932042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.932042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.156780 (E_RNA)
where:
Base-Base interactions energy: -636.263
where: short stacking energy: -239.220
Base-Backbone interact. energy: 3.088
local terms energy: -280.981855
where:
bonds (distance) C4'-P energy: -53.774
bonds (distance) P-C4' energy: -57.432
flat angles C4'-P-C4' energy: -65.898
flat angles P-C4'-P energy: -40.333
tors. eta vs tors. theta energy: -63.546
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: 1, replica: 4
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1283.617039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.617039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.080156 (E_RNA)
where:
Base-Base interactions energy: -899.948
where: short stacking energy: -358.398
Base-Backbone interact. energy: -3.216
local terms energy: -383.915793
where:
bonds (distance) C4'-P energy: -61.004
bonds (distance) P-C4' energy: -81.661
flat angles C4'-P-C4' energy: -80.947
flat angles P-C4'-P energy: -55.922
tors. eta vs tors. theta energy: -104.382
Dist. restrs. and SS energy: 3.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1194.414505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.414505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.766124 (E_RNA)
where:
Base-Base interactions energy: -841.502
where: short stacking energy: -354.754
Base-Backbone interact. energy: -2.511
local terms energy: -354.753027
where:
bonds (distance) C4'-P energy: -57.411
bonds (distance) P-C4' energy: -73.471
flat angles C4'-P-C4' energy: -75.947
flat angles P-C4'-P energy: -54.423
tors. eta vs tors. theta energy: -93.502
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: 3, replica: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1186.470280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.470280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.845619 (E_RNA)
where:
Base-Base interactions energy: -839.446
where: short stacking energy: -362.596
Base-Backbone interact. energy: -0.933
local terms energy: -349.466243
where:
bonds (distance) C4'-P energy: -58.245
bonds (distance) P-C4' energy: -69.361
flat angles C4'-P-C4' energy: -70.333
flat angles P-C4'-P energy: -47.316
tors. eta vs tors. theta energy: -104.211
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: 7
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1135.766618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.766618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.375385 (E_RNA)
where:
Base-Base interactions energy: -780.816
where: short stacking energy: -335.070
Base-Backbone interact. energy: -1.953
local terms energy: -356.606562
where:
bonds (distance) C4'-P energy: -58.425
bonds (distance) P-C4' energy: -73.370
flat angles C4'-P-C4' energy: -79.311
flat angles P-C4'-P energy: -51.145
tors. eta vs tors. theta energy: -94.356
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: 5, replica: 2
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1093.167591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.167591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.874956 (E_RNA)
where:
Base-Base interactions energy: -764.916
where: short stacking energy: -321.214
Base-Backbone interact. energy: -2.173
local terms energy: -332.786115
where:
bonds (distance) C4'-P energy: -61.321
bonds (distance) P-C4' energy: -61.669
flat angles C4'-P-C4' energy: -68.821
flat angles P-C4'-P energy: -45.251
tors. eta vs tors. theta energy: -95.725
Dist. restrs. and SS energy: 6.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1039.650835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.650835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.831695 (E_RNA)
where:
Base-Base interactions energy: -729.987
where: short stacking energy: -294.968
Base-Backbone interact. energy: -2.125
local terms energy: -309.719724
where:
bonds (distance) C4'-P energy: -58.705
bonds (distance) P-C4' energy: -63.800
flat angles C4'-P-C4' energy: -64.909
flat angles P-C4'-P energy: -42.113
tors. eta vs tors. theta energy: -80.192
Dist. restrs. and SS energy: 2.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -951.171448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.171448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.287251 (E_RNA)
where:
Base-Base interactions energy: -647.819
where: short stacking energy: -270.256
Base-Backbone interact. energy: -1.574
local terms energy: -310.894111
where:
bonds (distance) C4'-P energy: -62.809
bonds (distance) P-C4' energy: -63.486
flat angles C4'-P-C4' energy: -74.247
flat angles P-C4'-P energy: -41.815
tors. eta vs tors. theta energy: -68.537
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: 8, replica: 5
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -958.906341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.906341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.897463 (E_RNA)
where:
Base-Base interactions energy: -683.259
where: short stacking energy: -286.405
Base-Backbone interact. energy: 0.250
local terms energy: -278.888612
where:
bonds (distance) C4'-P energy: -47.584
bonds (distance) P-C4' energy: -64.807
flat angles C4'-P-C4' energy: -56.720
flat angles P-C4'-P energy: -41.447
tors. eta vs tors. theta energy: -68.331
Dist. restrs. and SS energy: 2.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -881.937110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.937110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.874419 (E_RNA)
where:
Base-Base interactions energy: -607.691
where: short stacking energy: -237.958
Base-Backbone interact. energy: 0.494
local terms energy: -277.677604
where:
bonds (distance) C4'-P energy: -59.401
bonds (distance) P-C4' energy: -66.253
flat angles C4'-P-C4' energy: -56.911
flat angles P-C4'-P energy: -48.812
tors. eta vs tors. theta energy: -46.300
Dist. restrs. and SS energy: 2.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -917.692024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.692024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.281659 (E_RNA)
where:
Base-Base interactions energy: -625.111
where: short stacking energy: -233.222
Base-Backbone interact. energy: -2.212
local terms energy: -294.958387
where:
bonds (distance) C4'-P energy: -58.877
bonds (distance) P-C4' energy: -57.691
flat angles C4'-P-C4' energy: -75.005
flat angles P-C4'-P energy: -41.199
tors. eta vs tors. theta energy: -62.186
Dist. restrs. and SS energy: 4.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1268.166342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.166342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.821140 (E_RNA)
where:
Base-Base interactions energy: -885.670
where: short stacking energy: -352.764
Base-Backbone interact. energy: -2.287
local terms energy: -383.863989
where:
bonds (distance) C4'-P energy: -72.953
bonds (distance) P-C4' energy: -76.194
flat angles C4'-P-C4' energy: -77.928
flat angles P-C4'-P energy: -51.720
tors. eta vs tors. theta energy: -105.069
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: 2, replica: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1215.422957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.422957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.994384 (E_RNA)
where:
Base-Base interactions energy: -839.647
where: short stacking energy: -348.830
Base-Backbone interact. energy: -3.377
local terms energy: -376.970109
where:
bonds (distance) C4'-P energy: -68.203
bonds (distance) P-C4' energy: -70.041
flat angles C4'-P-C4' energy: -81.084
flat angles P-C4'-P energy: -61.244
tors. eta vs tors. theta energy: -96.398
Dist. restrs. and SS energy: 4.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1170.427618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.427618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.217983 (E_RNA)
where:
Base-Base interactions energy: -818.959
where: short stacking energy: -332.102
Base-Backbone interact. energy: -1.443
local terms energy: -353.816265
where:
bonds (distance) C4'-P energy: -60.442
bonds (distance) P-C4' energy: -67.453
flat angles C4'-P-C4' energy: -75.252
flat angles P-C4'-P energy: -49.667
tors. eta vs tors. theta energy: -101.002
Dist. restrs. and SS energy: 3.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1165.164336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.164336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.688138 (E_RNA)
where:
Base-Base interactions energy: -818.522
where: short stacking energy: -337.905
Base-Backbone interact. energy: -1.844
local terms energy: -348.322268
where:
bonds (distance) C4'-P energy: -57.943
bonds (distance) P-C4' energy: -67.426
flat angles C4'-P-C4' energy: -67.912
flat angles P-C4'-P energy: -50.974
tors. eta vs tors. theta energy: -104.067
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: 2
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1060.857885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.857885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.000959 (E_RNA)
where:
Base-Base interactions energy: -749.979
where: short stacking energy: -318.044
Base-Backbone interact. energy: -1.779
local terms energy: -314.243475
where:
bonds (distance) C4'-P energy: -54.835
bonds (distance) P-C4' energy: -65.244
flat angles C4'-P-C4' energy: -61.508
flat angles P-C4'-P energy: -43.294
tors. eta vs tors. theta energy: -89.361
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: 6, replica: 1
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1039.043713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.043713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.843991 (E_RNA)
where:
Base-Base interactions energy: -733.086
where: short stacking energy: -287.450
Base-Backbone interact. energy: -2.973
local terms energy: -303.785229
where:
bonds (distance) C4'-P energy: -71.218
bonds (distance) P-C4' energy: -51.124
flat angles C4'-P-C4' energy: -66.254
flat angles P-C4'-P energy: -44.184
tors. eta vs tors. theta energy: -71.005
Dist. restrs. and SS energy: 0.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -990.253869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.253869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.338717 (E_RNA)
where:
Base-Base interactions energy: -699.965
where: short stacking energy: -283.906
Base-Backbone interact. energy: -2.190
local terms energy: -289.183467
where:
bonds (distance) C4'-P energy: -52.905
bonds (distance) P-C4' energy: -51.393
flat angles C4'-P-C4' energy: -75.082
flat angles P-C4'-P energy: -43.104
tors. eta vs tors. theta energy: -66.699
Dist. restrs. and SS energy: 1.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -910.411339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.411339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.901691 (E_RNA)
where:
Base-Base interactions energy: -612.660
where: short stacking energy: -241.210
Base-Backbone interact. energy: -2.524
local terms energy: -297.718059
where:
bonds (distance) C4'-P energy: -65.193
bonds (distance) P-C4' energy: -76.663
flat angles C4'-P-C4' energy: -59.266
flat angles P-C4'-P energy: -43.479
tors. eta vs tors. theta energy: -53.117
Dist. restrs. and SS energy: 2.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -897.282574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.282574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.269790 (E_RNA)
where:
Base-Base interactions energy: -614.181
where: short stacking energy: -259.733
Base-Backbone interact. energy: -2.965
local terms energy: -287.123362
where:
bonds (distance) C4'-P energy: -56.708
bonds (distance) P-C4' energy: -56.453
flat angles C4'-P-C4' energy: -64.568
flat angles P-C4'-P energy: -37.750
tors. eta vs tors. theta energy: -71.645
Dist. restrs. and SS energy: 6.987 (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: 3
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -853.836209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.836209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.195790 (E_RNA)
where:
Base-Base interactions energy: -633.854
where: short stacking energy: -263.319
Base-Backbone interact. energy: 3.932
local terms energy: -230.273250
where:
bonds (distance) C4'-P energy: -44.757
bonds (distance) P-C4' energy: -50.015
flat angles C4'-P-C4' energy: -55.952
flat angles P-C4'-P energy: -18.483
tors. eta vs tors. theta energy: -61.065
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: 4
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1278.120938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.120938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.444254 (E_RNA)
where:
Base-Base interactions energy: -909.753
where: short stacking energy: -371.435
Base-Backbone interact. energy: 0.257
local terms energy: -371.947610
where:
bonds (distance) C4'-P energy: -61.940
bonds (distance) P-C4' energy: -73.603
flat angles C4'-P-C4' energy: -86.549
flat angles P-C4'-P energy: -44.418
tors. eta vs tors. theta energy: -105.439
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: 6
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1188.809313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.809313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.659723 (E_RNA)
where:
Base-Base interactions energy: -824.977
where: short stacking energy: -357.489
Base-Backbone interact. energy: -1.543
local terms energy: -368.140022
where:
bonds (distance) C4'-P energy: -75.957
bonds (distance) P-C4' energy: -64.829
flat angles C4'-P-C4' energy: -71.629
flat angles P-C4'-P energy: -60.497
tors. eta vs tors. theta energy: -95.229
Dist. restrs. and SS energy: 5.850 (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: 7
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1162.756432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.756432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.340907 (E_RNA)
where:
Base-Base interactions energy: -811.633
where: short stacking energy: -342.853
Base-Backbone interact. energy: -2.652
local terms energy: -352.056061
where:
bonds (distance) C4'-P energy: -71.118
bonds (distance) P-C4' energy: -60.953
flat angles C4'-P-C4' energy: -75.602
flat angles P-C4'-P energy: -53.361
tors. eta vs tors. theta energy: -91.021
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: 9
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1159.856829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.856829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.622191 (E_RNA)
where:
Base-Base interactions energy: -802.230
where: short stacking energy: -330.429
Base-Backbone interact. energy: -2.396
local terms energy: -358.995756
where:
bonds (distance) C4'-P energy: -70.418
bonds (distance) P-C4' energy: -66.255
flat angles C4'-P-C4' energy: -78.659
flat angles P-C4'-P energy: -42.241
tors. eta vs tors. theta energy: -101.423
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: 5, replica: 2
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1078.147727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.147727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.747702 (E_RNA)
where:
Base-Base interactions energy: -748.316
where: short stacking energy: -301.893
Base-Backbone interact. energy: -1.375
local terms energy: -335.056065
where:
bonds (distance) C4'-P energy: -62.228
bonds (distance) P-C4' energy: -63.198
flat angles C4'-P-C4' energy: -68.751
flat angles P-C4'-P energy: -45.800
tors. eta vs tors. theta energy: -95.079
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: 6, replica: 1
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1052.972845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.972845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.608351 (E_RNA)
where:
Base-Base interactions energy: -733.139
where: short stacking energy: -307.174
Base-Backbone interact. energy: -0.805
local terms energy: -320.664856
where:
bonds (distance) C4'-P energy: -57.437
bonds (distance) P-C4' energy: -66.179
flat angles C4'-P-C4' energy: -65.048
flat angles P-C4'-P energy: -39.729
tors. eta vs tors. theta energy: -92.272
Dist. restrs. and SS energy: 1.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -981.587316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.587316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.402437 (E_RNA)
where:
Base-Base interactions energy: -684.381
where: short stacking energy: -276.192
Base-Backbone interact. energy: 1.494
local terms energy: -304.514803
where:
bonds (distance) C4'-P energy: -60.490
bonds (distance) P-C4' energy: -67.467
flat angles C4'-P-C4' energy: -64.085
flat angles P-C4'-P energy: -39.265
tors. eta vs tors. theta energy: -73.208
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: 8, replica: 10
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -921.174693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.174693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.582722 (E_RNA)
where:
Base-Base interactions energy: -630.896
where: short stacking energy: -254.030
Base-Backbone interact. energy: -2.614
local terms energy: -291.073443
where:
bonds (distance) C4'-P energy: -68.647
bonds (distance) P-C4' energy: -65.971
flat angles C4'-P-C4' energy: -59.142
flat angles P-C4'-P energy: -36.297
tors. eta vs tors. theta energy: -61.016
Dist. restrs. and SS energy: 3.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -914.872800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.872800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.584420 (E_RNA)
where:
Base-Base interactions energy: -653.879
where: short stacking energy: -256.912
Base-Backbone interact. energy: -1.947
local terms energy: -264.757612
where:
bonds (distance) C4'-P energy: -57.231
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -60.192
flat angles P-C4'-P energy: -29.768
tors. eta vs tors. theta energy: -62.098
Dist. restrs. and SS energy: 5.712 (S_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: 439
Temperature: 1.350000
Total energy: -871.041975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.041975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.546677 (E_RNA)
where:
Base-Base interactions energy: -637.900
where: short stacking energy: -251.836
Base-Backbone interact. energy: -0.664
local terms energy: -241.982100
where:
bonds (distance) C4'-P energy: -50.105
bonds (distance) P-C4' energy: -50.653
flat angles C4'-P-C4' energy: -54.211
flat angles P-C4'-P energy: -32.483
tors. eta vs tors. theta energy: -54.529
Dist. restrs. and SS energy: 9.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1293.179710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.179710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.698773 (E_RNA)
where:
Base-Base interactions energy: -906.887
where: short stacking energy: -362.255
Base-Backbone interact. energy: -1.790
local terms energy: -387.022203
where:
bonds (distance) C4'-P energy: -72.561
bonds (distance) P-C4' energy: -80.596
flat angles C4'-P-C4' energy: -76.989
flat angles P-C4'-P energy: -48.905
tors. eta vs tors. theta energy: -107.972
Dist. restrs. and SS energy: 2.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1162.682532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.682532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.799073 (E_RNA)
where:
Base-Base interactions energy: -798.972
where: short stacking energy: -342.299
Base-Backbone interact. energy: -2.805
local terms energy: -365.021897
where:
bonds (distance) C4'-P energy: -64.605
bonds (distance) P-C4' energy: -67.329
flat angles C4'-P-C4' energy: -82.960
flat angles P-C4'-P energy: -50.178
tors. eta vs tors. theta energy: -99.949
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: 3, replica: 9
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1161.499006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.499006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.985520 (E_RNA)
where:
Base-Base interactions energy: -804.703
where: short stacking energy: -325.337
Base-Backbone interact. energy: -1.345
local terms energy: -357.938297
where:
bonds (distance) C4'-P energy: -67.946
bonds (distance) P-C4' energy: -67.029
flat angles C4'-P-C4' energy: -73.769
flat angles P-C4'-P energy: -54.735
tors. eta vs tors. theta energy: -94.459
Dist. restrs. and SS energy: 2.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1120.451199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.451199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.399542 (E_RNA)
where:
Base-Base interactions energy: -784.100
where: short stacking energy: -316.886
Base-Backbone interact. energy: -1.169
local terms energy: -338.130200
where:
bonds (distance) C4'-P energy: -67.286
bonds (distance) P-C4' energy: -69.923
flat angles C4'-P-C4' energy: -68.695
flat angles P-C4'-P energy: -47.896
tors. eta vs tors. theta energy: -84.330
Dist. restrs. and SS energy: 2.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1076.398917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.398917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.829853 (E_RNA)
where:
Base-Base interactions energy: -754.511
where: short stacking energy: -299.234
Base-Backbone interact. energy: -2.602
local terms energy: -327.717273
where:
bonds (distance) C4'-P energy: -62.270
bonds (distance) P-C4' energy: -66.032
flat angles C4'-P-C4' energy: -65.177
flat angles P-C4'-P energy: -50.278
tors. eta vs tors. theta energy: -83.962
Dist. restrs. and SS energy: 8.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1045.231585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.231585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.097377 (E_RNA)
where:
Base-Base interactions energy: -745.283
where: short stacking energy: -304.721
Base-Backbone interact. energy: -1.929
local terms energy: -298.885149
where:
bonds (distance) C4'-P energy: -65.160
bonds (distance) P-C4' energy: -51.043
flat angles C4'-P-C4' energy: -57.974
flat angles P-C4'-P energy: -47.445
tors. eta vs tors. theta energy: -77.263
Dist. restrs. and SS energy: 0.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -947.196791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.196791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.975210 (E_RNA)
where:
Base-Base interactions energy: -650.954
where: short stacking energy: -264.599
Base-Backbone interact. energy: -0.333
local terms energy: -297.688119
where:
bonds (distance) C4'-P energy: -66.232
bonds (distance) P-C4' energy: -69.063
flat angles C4'-P-C4' energy: -66.989
flat angles P-C4'-P energy: -32.648
tors. eta vs tors. theta energy: -62.757
Dist. restrs. and SS energy: 1.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -938.097991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.097991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.248721 (E_RNA)
where:
Base-Base interactions energy: -659.393
where: short stacking energy: -277.785
Base-Backbone interact. energy: -1.775
local terms energy: -281.080635
where:
bonds (distance) C4'-P energy: -54.874
bonds (distance) P-C4' energy: -64.251
flat angles C4'-P-C4' energy: -58.143
flat angles P-C4'-P energy: -38.662
tors. eta vs tors. theta energy: -65.151
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: 9, replica: 3
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -870.972120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.972120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.477486 (E_RNA)
where:
Base-Base interactions energy: -609.671
where: short stacking energy: -235.917
Base-Backbone interact. energy: -0.993
local terms energy: -268.813145
where:
bonds (distance) C4'-P energy: -47.746
bonds (distance) P-C4' energy: -56.541
flat angles C4'-P-C4' energy: -60.856
flat angles P-C4'-P energy: -46.842
tors. eta vs tors. theta energy: -56.828
Dist. restrs. and SS energy: 8.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -908.111024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.111024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.222107 (E_RNA)
where:
Base-Base interactions energy: -636.576
where: short stacking energy: -248.171
Base-Backbone interact. energy: 0.624
local terms energy: -279.270044
where:
bonds (distance) C4'-P energy: -59.538
bonds (distance) P-C4' energy: -46.706
flat angles C4'-P-C4' energy: -61.588
flat angles P-C4'-P energy: -48.110
tors. eta vs tors. theta energy: -63.327
Dist. restrs. and SS energy: 7.111 (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: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1277.626079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.626079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.870148 (E_RNA)
where:
Base-Base interactions energy: -902.795
where: short stacking energy: -374.015
Base-Backbone interact. energy: -2.784
local terms energy: -375.291145
where:
bonds (distance) C4'-P energy: -67.689
bonds (distance) P-C4' energy: -72.607
flat angles C4'-P-C4' energy: -75.864
flat angles P-C4'-P energy: -49.471
tors. eta vs tors. theta energy: -109.660
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: 9
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1192.961689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.961689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.360253 (E_RNA)
where:
Base-Base interactions energy: -831.976
where: short stacking energy: -340.348
Base-Backbone interact. energy: 0.041
local terms energy: -364.424786
where:
bonds (distance) C4'-P energy: -68.455
bonds (distance) P-C4' energy: -66.109
flat angles C4'-P-C4' energy: -77.623
flat angles P-C4'-P energy: -58.464
tors. eta vs tors. theta energy: -93.775
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: 6
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1147.984343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.984343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.193336 (E_RNA)
where:
Base-Base interactions energy: -809.312
where: short stacking energy: -333.627
Base-Backbone interact. energy: -1.928
local terms energy: -340.952599
where:
bonds (distance) C4'-P energy: -61.296
bonds (distance) P-C4' energy: -68.235
flat angles C4'-P-C4' energy: -73.374
flat angles P-C4'-P energy: -43.647
tors. eta vs tors. theta energy: -94.400
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: 4, replica: 7
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1114.740096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.740096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.467190 (E_RNA)
where:
Base-Base interactions energy: -789.173
where: short stacking energy: -310.855
Base-Backbone interact. energy: -1.222
local terms energy: -328.071549
where:
bonds (distance) C4'-P energy: -58.955
bonds (distance) P-C4' energy: -58.106
flat angles C4'-P-C4' energy: -79.703
flat angles P-C4'-P energy: -39.268
tors. eta vs tors. theta energy: -92.039
Dist. restrs. and SS energy: 3.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1065.840367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.840367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.917846 (E_RNA)
where:
Base-Base interactions energy: -747.118
where: short stacking energy: -308.889
Base-Backbone interact. energy: -1.163
local terms energy: -320.635993
where:
bonds (distance) C4'-P energy: -57.877
bonds (distance) P-C4' energy: -62.677
flat angles C4'-P-C4' energy: -69.618
flat angles P-C4'-P energy: -42.857
tors. eta vs tors. theta energy: -87.607
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: 6, replica: 1
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1012.747324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.747324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.453180 (E_RNA)
where:
Base-Base interactions energy: -715.654
where: short stacking energy: -303.738
Base-Backbone interact. energy: 3.177
local terms energy: -300.976449
where:
bonds (distance) C4'-P energy: -46.293
bonds (distance) P-C4' energy: -65.640
flat angles C4'-P-C4' energy: -71.874
flat angles P-C4'-P energy: -47.051
tors. eta vs tors. theta energy: -70.118
Dist. restrs. and SS energy: 0.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -987.063046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.063046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.875648 (E_RNA)
where:
Base-Base interactions energy: -696.044
where: short stacking energy: -278.468
Base-Backbone interact. energy: -1.689
local terms energy: -292.142573
where:
bonds (distance) C4'-P energy: -53.873
bonds (distance) P-C4' energy: -43.688
flat angles C4'-P-C4' energy: -68.424
flat angles P-C4'-P energy: -47.817
tors. eta vs tors. theta energy: -78.340
Dist. restrs. and SS energy: 2.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -936.905368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.905368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.158546 (E_RNA)
where:
Base-Base interactions energy: -644.174
where: short stacking energy: -266.047
Base-Backbone interact. energy: -1.966
local terms energy: -296.018271
where:
bonds (distance) C4'-P energy: -64.552
bonds (distance) P-C4' energy: -55.252
flat angles C4'-P-C4' energy: -62.126
flat angles P-C4'-P energy: -45.302
tors. eta vs tors. theta energy: -68.787
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: 9, replica: 10
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -886.958576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.958576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.238697 (E_RNA)
where:
Base-Base interactions energy: -632.716
where: short stacking energy: -247.810
Base-Backbone interact. energy: 0.035
local terms energy: -261.557261
where:
bonds (distance) C4'-P energy: -53.284
bonds (distance) P-C4' energy: -54.189
flat angles C4'-P-C4' energy: -65.909
flat angles P-C4'-P energy: -40.200
tors. eta vs tors. theta energy: -47.975
Dist. restrs. and SS energy: 7.280 (S_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: 441
Temperature: 1.350000
Total energy: -868.622797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.622797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.864389 (E_RNA)
where:
Base-Base interactions energy: -620.940
where: short stacking energy: -234.141
Base-Backbone interact. energy: -1.062
local terms energy: -250.862642
where:
bonds (distance) C4'-P energy: -39.378
bonds (distance) P-C4' energy: -61.056
flat angles C4'-P-C4' energy: -54.084
flat angles P-C4'-P energy: -36.024
tors. eta vs tors. theta energy: -60.320
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: 1, replica: 4
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1283.657160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.657160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.018570 (E_RNA)
where:
Base-Base interactions energy: -891.936
where: short stacking energy: -374.866
Base-Backbone interact. energy: -5.275
local terms energy: -390.807627
where:
bonds (distance) C4'-P energy: -68.582
bonds (distance) P-C4' energy: -76.489
flat angles C4'-P-C4' energy: -79.755
flat angles P-C4'-P energy: -57.671
tors. eta vs tors. theta energy: -108.309
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: 2, replica: 9
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1227.572146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.572146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.481044 (E_RNA)
where:
Base-Base interactions energy: -846.908
where: short stacking energy: -349.971
Base-Backbone interact. energy: -2.755
local terms energy: -381.817839
where:
bonds (distance) C4'-P energy: -66.099
bonds (distance) P-C4' energy: -74.694
flat angles C4'-P-C4' energy: -80.573
flat angles P-C4'-P energy: -59.690
tors. eta vs tors. theta energy: -100.762
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: 3, replica: 6
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1178.812810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.812810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.497633 (E_RNA)
where:
Base-Base interactions energy: -833.588
where: short stacking energy: -353.837
Base-Backbone interact. energy: -0.808
local terms energy: -349.101518
where:
bonds (distance) C4'-P energy: -73.970
bonds (distance) P-C4' energy: -65.067
flat angles C4'-P-C4' energy: -73.680
flat angles P-C4'-P energy: -39.324
tors. eta vs tors. theta energy: -97.061
Dist. restrs. and SS energy: 4.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1152.294095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.294095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.890563 (E_RNA)
where:
Base-Base interactions energy: -802.121
where: short stacking energy: -329.969
Base-Backbone interact. energy: -0.784
local terms energy: -352.985359
where:
bonds (distance) C4'-P energy: -70.375
bonds (distance) P-C4' energy: -72.099
flat angles C4'-P-C4' energy: -78.730
flat angles P-C4'-P energy: -40.305
tors. eta vs tors. theta energy: -91.477
Dist. restrs. and SS energy: 3.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1111.337809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.337809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.765549 (E_RNA)
where:
Base-Base interactions energy: -775.874
where: short stacking energy: -332.643
Base-Backbone interact. energy: -0.626
local terms energy: -339.265715
where:
bonds (distance) C4'-P energy: -53.922
bonds (distance) P-C4' energy: -65.441
flat angles C4'-P-C4' energy: -79.035
flat angles P-C4'-P energy: -53.999
tors. eta vs tors. theta energy: -86.868
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: 6, replica: 1
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1022.260052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.260052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.764262 (E_RNA)
where:
Base-Base interactions energy: -712.042
where: short stacking energy: -303.781
Base-Backbone interact. energy: -0.397
local terms energy: -312.325195
where:
bonds (distance) C4'-P energy: -54.181
bonds (distance) P-C4' energy: -60.233
flat angles C4'-P-C4' energy: -76.908
flat angles P-C4'-P energy: -49.195
tors. eta vs tors. theta energy: -71.808
Dist. restrs. and SS energy: 2.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -960.198223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.198223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.458172 (E_RNA)
where:
Base-Base interactions energy: -667.759
where: short stacking energy: -259.514
Base-Backbone interact. energy: 3.399
local terms energy: -298.098424
where:
bonds (distance) C4'-P energy: -63.360
bonds (distance) P-C4' energy: -64.924
flat angles C4'-P-C4' energy: -63.234
flat angles P-C4'-P energy: -46.274
tors. eta vs tors. theta energy: -60.307
Dist. restrs. and SS energy: 2.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -912.373640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.373640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.835185 (E_RNA)
where:
Base-Base interactions energy: -640.765
where: short stacking energy: -265.146
Base-Backbone interact. energy: -0.569
local terms energy: -279.501418
where:
bonds (distance) C4'-P energy: -51.457
bonds (distance) P-C4' energy: -51.247
flat angles C4'-P-C4' energy: -66.764
flat angles P-C4'-P energy: -45.319
tors. eta vs tors. theta energy: -64.715
Dist. restrs. and SS energy: 8.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -866.801615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.801615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.328485 (E_RNA)
where:
Base-Base interactions energy: -601.469
where: short stacking energy: -230.022
Base-Backbone interact. energy: -3.126
local terms energy: -268.733095
where:
bonds (distance) C4'-P energy: -60.729
bonds (distance) P-C4' energy: -56.974
flat angles C4'-P-C4' energy: -58.151
flat angles P-C4'-P energy: -39.770
tors. eta vs tors. theta energy: -53.110
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: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -896.887922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.887922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.464000 (E_RNA)
where:
Base-Base interactions energy: -628.528
where: short stacking energy: -241.210
Base-Backbone interact. energy: 0.128
local terms energy: -275.064594
where:
bonds (distance) C4'-P energy: -46.259
bonds (distance) P-C4' energy: -61.659
flat angles C4'-P-C4' energy: -61.941
flat angles P-C4'-P energy: -41.252
tors. eta vs tors. theta energy: -63.953
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: 1, replica: 4
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1280.963235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.963235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.367492 (E_RNA)
where:
Base-Base interactions energy: -898.951
where: short stacking energy: -374.199
Base-Backbone interact. energy: -2.056
local terms energy: -383.360111
where:
bonds (distance) C4'-P energy: -67.366
bonds (distance) P-C4' energy: -70.680
flat angles C4'-P-C4' energy: -80.922
flat angles P-C4'-P energy: -53.950
tors. eta vs tors. theta energy: -110.442
Dist. restrs. and SS energy: 3.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1212.138993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.138993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.531247 (E_RNA)
where:
Base-Base interactions energy: -839.906
where: short stacking energy: -358.791
Base-Backbone interact. energy: -1.262
local terms energy: -373.362551
where:
bonds (distance) C4'-P energy: -68.795
bonds (distance) P-C4' energy: -69.174
flat angles C4'-P-C4' energy: -76.856
flat angles P-C4'-P energy: -57.765
tors. eta vs tors. theta energy: -100.773
Dist. restrs. and SS energy: 2.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1177.959042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.959042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.304676 (E_RNA)
where:
Base-Base interactions energy: -811.076
where: short stacking energy: -341.758
Base-Backbone interact. energy: -0.900
local terms energy: -369.328269
where:
bonds (distance) C4'-P energy: -69.942
bonds (distance) P-C4' energy: -69.074
flat angles C4'-P-C4' energy: -84.037
flat angles P-C4'-P energy: -47.162
tors. eta vs tors. theta energy: -99.113
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: 4, replica: 7
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1171.874260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.874260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.957212 (E_RNA)
where:
Base-Base interactions energy: -825.102
where: short stacking energy: -334.791
Base-Backbone interact. energy: -1.056
local terms energy: -349.799691
where:
bonds (distance) C4'-P energy: -78.426
bonds (distance) P-C4' energy: -63.612
flat angles C4'-P-C4' energy: -68.375
flat angles P-C4'-P energy: -45.486
tors. eta vs tors. theta energy: -93.900
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: 2
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1094.589010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.589010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.267635 (E_RNA)
where:
Base-Base interactions energy: -750.755
where: short stacking energy: -310.304
Base-Backbone interact. energy: -0.249
local terms energy: -346.263737
where:
bonds (distance) C4'-P energy: -50.902
bonds (distance) P-C4' energy: -77.382
flat angles C4'-P-C4' energy: -78.718
flat angles P-C4'-P energy: -50.759
tors. eta vs tors. theta energy: -88.503
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: 6, replica: 1
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1031.022320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.022320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.702959 (E_RNA)
where:
Base-Base interactions energy: -721.187
where: short stacking energy: -319.219
Base-Backbone interact. energy: -0.730
local terms energy: -312.785351
where:
bonds (distance) C4'-P energy: -62.086
bonds (distance) P-C4' energy: -56.457
flat angles C4'-P-C4' energy: -64.836
flat angles P-C4'-P energy: -45.301
tors. eta vs tors. theta energy: -84.105
Dist. restrs. and SS energy: 3.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -971.158562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.158562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.530842 (E_RNA)
where:
Base-Base interactions energy: -673.260
where: short stacking energy: -286.477
Base-Backbone interact. energy: 0.125
local terms energy: -300.395403
where:
bonds (distance) C4'-P energy: -59.792
bonds (distance) P-C4' energy: -56.853
flat angles C4'-P-C4' energy: -61.902
flat angles P-C4'-P energy: -41.742
tors. eta vs tors. theta energy: -80.107
Dist. restrs. and SS energy: 2.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -944.079866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.079866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.673250 (E_RNA)
where:
Base-Base interactions energy: -679.685
where: short stacking energy: -281.085
Base-Backbone interact. energy: 0.384
local terms energy: -268.372761
where:
bonds (distance) C4'-P energy: -53.637
bonds (distance) P-C4' energy: -51.079
flat angles C4'-P-C4' energy: -64.728
flat angles P-C4'-P energy: -29.569
tors. eta vs tors. theta energy: -69.360
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: 9, replica: 10
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -909.494267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.494267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.453661 (E_RNA)
where:
Base-Base interactions energy: -633.808
where: short stacking energy: -245.621
Base-Backbone interact. energy: -2.517
local terms energy: -277.128349
where:
bonds (distance) C4'-P energy: -60.154
bonds (distance) P-C4' energy: -53.733
flat angles C4'-P-C4' energy: -60.449
flat angles P-C4'-P energy: -34.139
tors. eta vs tors. theta energy: -68.653
Dist. restrs. and SS energy: 3.959 (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: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -897.160216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.160216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.140978 (E_RNA)
where:
Base-Base interactions energy: -637.684
where: short stacking energy: -243.597
Base-Backbone interact. energy: 3.226
local terms energy: -266.683246
where:
bonds (distance) C4'-P energy: -65.971
bonds (distance) P-C4' energy: -42.236
flat angles C4'-P-C4' energy: -70.449
flat angles P-C4'-P energy: -30.014
tors. eta vs tors. theta energy: -58.014
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: 1, replica: 4
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1287.732939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.732939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.712034 (E_RNA)
where:
Base-Base interactions energy: -912.942
where: short stacking energy: -368.039
Base-Backbone interact. energy: -0.166
local terms energy: -377.603763
where:
bonds (distance) C4'-P energy: -67.772
bonds (distance) P-C4' energy: -71.466
flat angles C4'-P-C4' energy: -79.100
flat angles P-C4'-P energy: -51.641
tors. eta vs tors. theta energy: -107.625
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: 2, replica: 9
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1190.197573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.197573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.594126 (E_RNA)
where:
Base-Base interactions energy: -821.598
where: short stacking energy: -344.768
Base-Backbone interact. energy: -0.964
local terms energy: -372.031744
where:
bonds (distance) C4'-P energy: -65.730
bonds (distance) P-C4' energy: -75.800
flat angles C4'-P-C4' energy: -75.629
flat angles P-C4'-P energy: -62.775
tors. eta vs tors. theta energy: -92.096
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: 3, replica: 7
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1168.759172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.759172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.268076 (E_RNA)
where:
Base-Base interactions energy: -819.289
where: short stacking energy: -339.854
Base-Backbone interact. energy: -3.009
local terms energy: -350.969274
where:
bonds (distance) C4'-P energy: -64.747
bonds (distance) P-C4' energy: -57.825
flat angles C4'-P-C4' energy: -79.763
flat angles P-C4'-P energy: -52.212
tors. eta vs tors. theta energy: -96.422
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: 4, replica: 6
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1115.953158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.953158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.584496 (E_RNA)
where:
Base-Base interactions energy: -783.536
where: short stacking energy: -342.527
Base-Backbone interact. energy: -1.717
local terms energy: -334.331361
where:
bonds (distance) C4'-P energy: -74.525
bonds (distance) P-C4' energy: -57.909
flat angles C4'-P-C4' energy: -65.506
flat angles P-C4'-P energy: -44.985
tors. eta vs tors. theta energy: -91.406
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: 5, replica: 2
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1063.052309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.052309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.444907 (E_RNA)
where:
Base-Base interactions energy: -734.270
where: short stacking energy: -300.278
Base-Backbone interact. energy: -0.890
local terms energy: -332.285111
where:
bonds (distance) C4'-P energy: -68.822
bonds (distance) P-C4' energy: -56.174
flat angles C4'-P-C4' energy: -74.072
flat angles P-C4'-P energy: -42.816
tors. eta vs tors. theta energy: -90.401
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: 6, replica: 1
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1045.335510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.335510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.327365 (E_RNA)
where:
Base-Base interactions energy: -726.373
where: short stacking energy: -292.387
Base-Backbone interact. energy: 0.577
local terms energy: -323.531382
where:
bonds (distance) C4'-P energy: -68.994
bonds (distance) P-C4' energy: -53.984
flat angles C4'-P-C4' energy: -70.504
flat angles P-C4'-P energy: -45.821
tors. eta vs tors. theta energy: -84.229
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: 7, replica: 5
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -972.488461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.488461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.022607 (E_RNA)
where:
Base-Base interactions energy: -689.357
where: short stacking energy: -266.831
Base-Backbone interact. energy: -1.441
local terms energy: -282.225123
where:
bonds (distance) C4'-P energy: -56.271
bonds (distance) P-C4' energy: -66.408
flat angles C4'-P-C4' energy: -50.300
flat angles P-C4'-P energy: -38.904
tors. eta vs tors. theta energy: -70.342
Dist. restrs. and SS energy: 0.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -916.585563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.585563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.668425 (E_RNA)
where:
Base-Base interactions energy: -647.297
where: short stacking energy: -259.888
Base-Backbone interact. energy: -1.367
local terms energy: -279.004956
where:
bonds (distance) C4'-P energy: -60.203
bonds (distance) P-C4' energy: -51.871
flat angles C4'-P-C4' energy: -69.672
flat angles P-C4'-P energy: -35.509
tors. eta vs tors. theta energy: -61.749
Dist. restrs. and SS energy: 11.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -924.786289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.786289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.858568 (E_RNA)
where:
Base-Base interactions energy: -632.730
where: short stacking energy: -252.397
Base-Backbone interact. energy: 0.877
local terms energy: -297.004844
where:
bonds (distance) C4'-P energy: -53.004
bonds (distance) P-C4' energy: -65.651
flat angles C4'-P-C4' energy: -76.368
flat angles P-C4'-P energy: -36.562
tors. eta vs tors. theta energy: -65.420
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: 10, replica: 10
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -848.593338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.593338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.349397 (E_RNA)
where:
Base-Base interactions energy: -592.031
where: short stacking energy: -235.760
Base-Backbone interact. energy: -0.283
local terms energy: -265.034440
where:
bonds (distance) C4'-P energy: -59.450
bonds (distance) P-C4' energy: -52.185
flat angles C4'-P-C4' energy: -59.712
flat angles P-C4'-P energy: -37.023
tors. eta vs tors. theta energy: -56.663
Dist. restrs. and SS energy: 8.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1280.477525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.477525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.589749 (E_RNA)
where:
Base-Base interactions energy: -881.572
where: short stacking energy: -362.895
Base-Backbone interact. energy: -0.921
local terms energy: -401.096243
where:
bonds (distance) C4'-P energy: -67.145
bonds (distance) P-C4' energy: -79.289
flat angles C4'-P-C4' energy: -83.052
flat angles P-C4'-P energy: -62.927
tors. eta vs tors. theta energy: -108.684
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: 2, replica: 9
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1208.719915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.719915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.975837 (E_RNA)
where:
Base-Base interactions energy: -845.185
where: short stacking energy: -331.802
Base-Backbone interact. energy: -0.917
local terms energy: -366.873950
where:
bonds (distance) C4'-P energy: -75.325
bonds (distance) P-C4' energy: -74.042
flat angles C4'-P-C4' energy: -83.597
flat angles P-C4'-P energy: -49.859
tors. eta vs tors. theta energy: -84.050
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: 3, replica: 7
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1173.149130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.149130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.264133 (E_RNA)
where:
Base-Base interactions energy: -809.805
where: short stacking energy: -329.633
Base-Backbone interact. energy: -2.165
local terms energy: -364.294075
where:
bonds (distance) C4'-P energy: -62.558
bonds (distance) P-C4' energy: -66.097
flat angles C4'-P-C4' energy: -83.149
flat angles P-C4'-P energy: -57.848
tors. eta vs tors. theta energy: -94.642
Dist. restrs. and SS energy: 3.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1101.499268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.499268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.954724 (E_RNA)
where:
Base-Base interactions energy: -776.739
where: short stacking energy: -318.465
Base-Backbone interact. energy: -2.168
local terms energy: -326.047347
where:
bonds (distance) C4'-P energy: -61.739
bonds (distance) P-C4' energy: -60.423
flat angles C4'-P-C4' energy: -79.981
flat angles P-C4'-P energy: -43.094
tors. eta vs tors. theta energy: -80.810
Dist. restrs. and SS energy: 3.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1082.563563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.563563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.553749 (E_RNA)
where:
Base-Base interactions energy: -742.823
where: short stacking energy: -314.144
Base-Backbone interact. energy: -0.991
local terms energy: -343.738846
where:
bonds (distance) C4'-P energy: -61.534
bonds (distance) P-C4' energy: -65.476
flat angles C4'-P-C4' energy: -75.242
flat angles P-C4'-P energy: -53.214
tors. eta vs tors. theta energy: -88.273
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: 6, replica: 1
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1022.197660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.197660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.195421 (E_RNA)
where:
Base-Base interactions energy: -718.107
where: short stacking energy: -291.753
Base-Backbone interact. energy: 0.397
local terms energy: -306.484851
where:
bonds (distance) C4'-P energy: -57.360
bonds (distance) P-C4' energy: -63.324
flat angles C4'-P-C4' energy: -71.468
flat angles P-C4'-P energy: -38.027
tors. eta vs tors. theta energy: -76.305
Dist. restrs. and SS energy: 1.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -976.347717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.347717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.153512 (E_RNA)
where:
Base-Base interactions energy: -678.030
where: short stacking energy: -263.221
Base-Backbone interact. energy: 0.693
local terms energy: -300.816422
where:
bonds (distance) C4'-P energy: -76.726
bonds (distance) P-C4' energy: -66.808
flat angles C4'-P-C4' energy: -51.016
flat angles P-C4'-P energy: -40.155
tors. eta vs tors. theta energy: -66.111
Dist. restrs. and SS energy: 1.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -961.305681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.305681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.611606 (E_RNA)
where:
Base-Base interactions energy: -669.545
where: short stacking energy: -258.764
Base-Backbone interact. energy: 0.423
local terms energy: -296.489467
where:
bonds (distance) C4'-P energy: -64.172
bonds (distance) P-C4' energy: -57.745
flat angles C4'-P-C4' energy: -60.156
flat angles P-C4'-P energy: -41.766
tors. eta vs tors. theta energy: -72.650
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: 9, replica: 3
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -890.426267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.426267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.133787 (E_RNA)
where:
Base-Base interactions energy: -632.294
where: short stacking energy: -252.890
Base-Backbone interact. energy: 0.095
local terms energy: -260.935032
where:
bonds (distance) C4'-P energy: -42.458
bonds (distance) P-C4' energy: -54.744
flat angles C4'-P-C4' energy: -64.794
flat angles P-C4'-P energy: -37.248
tors. eta vs tors. theta energy: -61.691
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: 10, replica: 10
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -864.320159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.320159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.867633 (E_RNA)
where:
Base-Base interactions energy: -617.208
where: short stacking energy: -247.492
Base-Backbone interact. energy: -1.057
local terms energy: -252.603516
where:
bonds (distance) C4'-P energy: -45.007
bonds (distance) P-C4' energy: -69.324
flat angles C4'-P-C4' energy: -54.609
flat angles P-C4'-P energy: -30.349
tors. eta vs tors. theta energy: -53.315
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: 4
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1263.183445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.183445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.769472 (E_RNA)
where:
Base-Base interactions energy: -867.771
where: short stacking energy: -354.917
Base-Backbone interact. energy: -0.259
local terms energy: -398.739093
where:
bonds (distance) C4'-P energy: -70.407
bonds (distance) P-C4' energy: -76.956
flat angles C4'-P-C4' energy: -84.668
flat angles P-C4'-P energy: -57.368
tors. eta vs tors. theta energy: -109.340
Dist. restrs. and SS energy: 3.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1229.730200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.730200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.766404 (E_RNA)
where:
Base-Base interactions energy: -860.402
where: short stacking energy: -353.309
Base-Backbone interact. energy: -4.860
local terms energy: -368.504485
where:
bonds (distance) C4'-P energy: -69.523
bonds (distance) P-C4' energy: -65.343
flat angles C4'-P-C4' energy: -84.156
flat angles P-C4'-P energy: -54.029
tors. eta vs tors. theta energy: -95.453
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: 3, replica: 7
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1179.547980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.547980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.460697 (E_RNA)
where:
Base-Base interactions energy: -803.775
where: short stacking energy: -352.917
Base-Backbone interact. energy: -1.257
local terms energy: -378.428684
where:
bonds (distance) C4'-P energy: -72.365
bonds (distance) P-C4' energy: -66.650
flat angles C4'-P-C4' energy: -86.488
flat angles P-C4'-P energy: -53.712
tors. eta vs tors. theta energy: -99.213
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: 4, replica: 6
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1082.823899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.823899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.596082 (E_RNA)
where:
Base-Base interactions energy: -774.437
where: short stacking energy: -307.419
Base-Backbone interact. energy: 1.035
local terms energy: -316.193706
where:
bonds (distance) C4'-P energy: -55.670
bonds (distance) P-C4' energy: -61.189
flat angles C4'-P-C4' energy: -70.571
flat angles P-C4'-P energy: -43.334
tors. eta vs tors. theta energy: -85.429
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: 5, replica: 2
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1101.451358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.451358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.099220 (E_RNA)
where:
Base-Base interactions energy: -756.577
where: short stacking energy: -332.384
Base-Backbone interact. energy: -0.330
local terms energy: -347.192024
where:
bonds (distance) C4'-P energy: -60.398
bonds (distance) P-C4' energy: -57.046
flat angles C4'-P-C4' energy: -74.803
flat angles P-C4'-P energy: -59.999
tors. eta vs tors. theta energy: -94.945
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: 6, replica: 1
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1027.587421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.587421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.057337 (E_RNA)
where:
Base-Base interactions energy: -717.864
where: short stacking energy: -299.630
Base-Backbone interact. energy: -0.296
local terms energy: -312.897337
where:
bonds (distance) C4'-P energy: -67.167
bonds (distance) P-C4' energy: -51.528
flat angles C4'-P-C4' energy: -71.563
flat angles P-C4'-P energy: -45.159
tors. eta vs tors. theta energy: -77.481
Dist. restrs. and SS energy: 3.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -916.817376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.817376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.585562 (E_RNA)
where:
Base-Base interactions energy: -639.861
where: short stacking energy: -254.386
Base-Backbone interact. energy: 0.479
local terms energy: -278.203702
where:
bonds (distance) C4'-P energy: -58.583
bonds (distance) P-C4' energy: -66.605
flat angles C4'-P-C4' energy: -53.990
flat angles P-C4'-P energy: -42.411
tors. eta vs tors. theta energy: -56.615
Dist. restrs. and SS energy: 0.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -974.610482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.610482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.301593 (E_RNA)
where:
Base-Base interactions energy: -682.330
where: short stacking energy: -296.883
Base-Backbone interact. energy: -1.733
local terms energy: -295.237792
where:
bonds (distance) C4'-P energy: -52.289
bonds (distance) P-C4' energy: -52.782
flat angles C4'-P-C4' energy: -66.091
flat angles P-C4'-P energy: -36.990
tors. eta vs tors. theta energy: -87.085
Dist. restrs. and SS energy: 4.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -884.303446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.303446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.974705 (E_RNA)
where:
Base-Base interactions energy: -609.654
where: short stacking energy: -246.308
Base-Backbone interact. energy: -1.248
local terms energy: -280.073063
where:
bonds (distance) C4'-P energy: -55.673
bonds (distance) P-C4' energy: -55.431
flat angles C4'-P-C4' energy: -63.297
flat angles P-C4'-P energy: -45.214
tors. eta vs tors. theta energy: -60.458
Dist. restrs. and SS energy: 6.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -857.718482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.718482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.848779 (E_RNA)
where:
Base-Base interactions energy: -606.028
where: short stacking energy: -234.839
Base-Backbone interact. energy: 1.038
local terms energy: -262.857897
where:
bonds (distance) C4'-P energy: -52.691
bonds (distance) P-C4' energy: -52.398
flat angles C4'-P-C4' energy: -57.624
flat angles P-C4'-P energy: -44.236
tors. eta vs tors. theta energy: -55.909
Dist. restrs. and SS energy: 10.130 (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: 4
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1277.665749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.665749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.510978 (E_RNA)
where:
Base-Base interactions energy: -896.355
where: short stacking energy: -370.284
Base-Backbone interact. energy: 1.597
local terms energy: -386.752588
where:
bonds (distance) C4'-P energy: -66.399
bonds (distance) P-C4' energy: -78.612
flat angles C4'-P-C4' energy: -81.317
flat angles P-C4'-P energy: -48.549
tors. eta vs tors. theta energy: -111.877
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: 2, replica: 9
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1208.108494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.108494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.660544 (E_RNA)
where:
Base-Base interactions energy: -847.208
where: short stacking energy: -351.058
Base-Backbone interact. energy: -1.342
local terms energy: -363.110224
where:
bonds (distance) C4'-P energy: -67.889
bonds (distance) P-C4' energy: -67.162
flat angles C4'-P-C4' energy: -77.106
flat angles P-C4'-P energy: -54.218
tors. eta vs tors. theta energy: -96.735
Dist. restrs. and SS energy: 3.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1136.034398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.034398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.154266 (E_RNA)
where:
Base-Base interactions energy: -789.372
where: short stacking energy: -318.420
Base-Backbone interact. energy: -0.458
local terms energy: -349.324637
where:
bonds (distance) C4'-P energy: -62.914
bonds (distance) P-C4' energy: -66.014
flat angles C4'-P-C4' energy: -73.880
flat angles P-C4'-P energy: -52.204
tors. eta vs tors. theta energy: -94.313
Dist. restrs. and SS energy: 3.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1102.703773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.703773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.820021 (E_RNA)
where:
Base-Base interactions energy: -743.140
where: short stacking energy: -311.763
Base-Backbone interact. energy: -3.519
local terms energy: -360.161684
where:
bonds (distance) C4'-P energy: -77.614
bonds (distance) P-C4' energy: -68.133
flat angles C4'-P-C4' energy: -73.809
flat angles P-C4'-P energy: -53.814
tors. eta vs tors. theta energy: -86.791
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: 5, replica: 2
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1065.500769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.500769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.284889 (E_RNA)
where:
Base-Base interactions energy: -739.377
where: short stacking energy: -315.654
Base-Backbone interact. energy: -1.312
local terms energy: -329.595408
where:
bonds (distance) C4'-P energy: -51.599
bonds (distance) P-C4' energy: -70.051
flat angles C4'-P-C4' energy: -61.911
flat angles P-C4'-P energy: -54.335
tors. eta vs tors. theta energy: -91.699
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: 6, replica: 5
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -986.630541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.630541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.617870 (E_RNA)
where:
Base-Base interactions energy: -672.594
where: short stacking energy: -269.278
Base-Backbone interact. energy: -0.539
local terms energy: -314.485064
where:
bonds (distance) C4'-P energy: -62.398
bonds (distance) P-C4' energy: -63.243
flat angles C4'-P-C4' energy: -67.874
flat angles P-C4'-P energy: -41.621
tors. eta vs tors. theta energy: -79.350
Dist. restrs. and SS energy: 0.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -995.352268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.352268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.711677 (E_RNA)
where:
Base-Base interactions energy: -692.568
where: short stacking energy: -280.751
Base-Backbone interact. energy: 2.431
local terms energy: -308.574215
where:
bonds (distance) C4'-P energy: -54.328
bonds (distance) P-C4' energy: -58.880
flat angles C4'-P-C4' energy: -70.672
flat angles P-C4'-P energy: -53.432
tors. eta vs tors. theta energy: -71.262
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: 8, replica: 8
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -998.359211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.359211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.602900 (E_RNA)
where:
Base-Base interactions energy: -698.315
where: short stacking energy: -293.833
Base-Backbone interact. energy: -0.771
local terms energy: -306.517051
where:
bonds (distance) C4'-P energy: -49.482
bonds (distance) P-C4' energy: -63.852
flat angles C4'-P-C4' energy: -69.443
flat angles P-C4'-P energy: -36.009
tors. eta vs tors. theta energy: -87.731
Dist. restrs. and SS energy: 7.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -894.181106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.181106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.653997 (E_RNA)
where:
Base-Base interactions energy: -616.236
where: short stacking energy: -233.771
Base-Backbone interact. energy: 2.139
local terms energy: -285.556938
where:
bonds (distance) C4'-P energy: -58.176
bonds (distance) P-C4' energy: -65.865
flat angles C4'-P-C4' energy: -60.844
flat angles P-C4'-P energy: -39.553
tors. eta vs tors. theta energy: -61.119
Dist. restrs. and SS energy: 5.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -856.193144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.193144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.853901 (E_RNA)
where:
Base-Base interactions energy: -595.874
where: short stacking energy: -235.886
Base-Backbone interact. energy: 0.342
local terms energy: -268.321997
where:
bonds (distance) C4'-P energy: -49.425
bonds (distance) P-C4' energy: -53.468
flat angles C4'-P-C4' energy: -74.974
flat angles P-C4'-P energy: -33.973
tors. eta vs tors. theta energy: -56.482
Dist. restrs. and SS energy: 7.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1286.601336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.601336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.117733 (E_RNA)
where:
Base-Base interactions energy: -900.993
where: short stacking energy: -371.951
Base-Backbone interact. energy: -0.751
local terms energy: -388.374205
where:
bonds (distance) C4'-P energy: -71.374
bonds (distance) P-C4' energy: -69.684
flat angles C4'-P-C4' energy: -79.932
flat angles P-C4'-P energy: -57.530
tors. eta vs tors. theta energy: -109.854
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: 2, replica: 9
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1213.899982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.899982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.993118 (E_RNA)
where:
Base-Base interactions energy: -843.039
where: short stacking energy: -351.925
Base-Backbone interact. energy: -5.137
local terms energy: -368.816677
where:
bonds (distance) C4'-P energy: -62.344
bonds (distance) P-C4' energy: -69.220
flat angles C4'-P-C4' energy: -82.284
flat angles P-C4'-P energy: -49.126
tors. eta vs tors. theta energy: -105.842
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: 3, replica: 7
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1173.068217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.068217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.578261 (E_RNA)
where:
Base-Base interactions energy: -829.633
where: short stacking energy: -352.917
Base-Backbone interact. energy: -1.136
local terms energy: -345.808379
where:
bonds (distance) C4'-P energy: -59.631
bonds (distance) P-C4' energy: -61.307
flat angles C4'-P-C4' energy: -75.779
flat angles P-C4'-P energy: -46.848
tors. eta vs tors. theta energy: -102.244
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: 4, replica: 6
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1106.564681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.564681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.993996 (E_RNA)
where:
Base-Base interactions energy: -765.686
where: short stacking energy: -321.275
Base-Backbone interact. energy: -0.214
local terms energy: -344.093569
where:
bonds (distance) C4'-P energy: -69.539
bonds (distance) P-C4' energy: -56.899
flat angles C4'-P-C4' energy: -81.833
flat angles P-C4'-P energy: -44.784
tors. eta vs tors. theta energy: -91.039
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: 5, replica: 5
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1032.855091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.855091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.657575 (E_RNA)
where:
Base-Base interactions energy: -702.327
where: short stacking energy: -292.153
Base-Backbone interact. energy: -1.550
local terms energy: -329.781224
where:
bonds (distance) C4'-P energy: -62.454
bonds (distance) P-C4' energy: -71.042
flat angles C4'-P-C4' energy: -67.560
flat angles P-C4'-P energy: -50.329
tors. eta vs tors. theta energy: -78.396
Dist. restrs. and SS energy: 0.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1057.865775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.865775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.316968 (E_RNA)
where:
Base-Base interactions energy: -746.191
where: short stacking energy: -315.140
Base-Backbone interact. energy: 0.416
local terms energy: -317.542695
where:
bonds (distance) C4'-P energy: -54.529
bonds (distance) P-C4' energy: -50.568
flat angles C4'-P-C4' energy: -79.392
flat angles P-C4'-P energy: -50.271
tors. eta vs tors. theta energy: -82.783
Dist. restrs. and SS energy: 5.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -984.246464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.246464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.433133 (E_RNA)
where:
Base-Base interactions energy: -665.385
where: short stacking energy: -269.932
Base-Backbone interact. energy: -2.554
local terms energy: -317.493967
where:
bonds (distance) C4'-P energy: -58.448
bonds (distance) P-C4' energy: -70.747
flat angles C4'-P-C4' energy: -59.398
flat angles P-C4'-P energy: -50.099
tors. eta vs tors. theta energy: -78.803
Dist. restrs. and SS energy: 1.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -970.283961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.283961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.934260 (E_RNA)
where:
Base-Base interactions energy: -689.574
where: short stacking energy: -276.449
Base-Backbone interact. energy: -1.318
local terms energy: -283.042088
where:
bonds (distance) C4'-P energy: -53.696
bonds (distance) P-C4' energy: -61.468
flat angles C4'-P-C4' energy: -50.809
flat angles P-C4'-P energy: -45.945
tors. eta vs tors. theta energy: -71.124
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: 9, replica: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -900.198116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.198116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.734528 (E_RNA)
where:
Base-Base interactions energy: -610.315
where: short stacking energy: -227.890
Base-Backbone interact. energy: -2.102
local terms energy: -295.317089
where:
bonds (distance) C4'-P energy: -57.858
bonds (distance) P-C4' energy: -64.769
flat angles C4'-P-C4' energy: -77.329
flat angles P-C4'-P energy: -36.696
tors. eta vs tors. theta energy: -58.666
Dist. restrs. and SS energy: 7.536 (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: 448
Temperature: 1.350000
Total energy: -841.723043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.723043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.050506 (E_RNA)
where:
Base-Base interactions energy: -624.578
where: short stacking energy: -235.548
Base-Backbone interact. energy: -0.288
local terms energy: -227.184490
where:
bonds (distance) C4'-P energy: -37.987
bonds (distance) P-C4' energy: -51.511
flat angles C4'-P-C4' energy: -58.901
flat angles P-C4'-P energy: -38.099
tors. eta vs tors. theta energy: -40.686
Dist. restrs. and SS energy: 10.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1279.323628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.323628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.929760 (E_RNA)
where:
Base-Base interactions energy: -894.464
where: short stacking energy: -359.287
Base-Backbone interact. energy: -2.589
local terms energy: -385.876873
where:
bonds (distance) C4'-P energy: -70.772
bonds (distance) P-C4' energy: -67.723
flat angles C4'-P-C4' energy: -75.619
flat angles P-C4'-P energy: -58.201
tors. eta vs tors. theta energy: -113.562
Dist. restrs. and SS energy: 3.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1171.362749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.362749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.037829 (E_RNA)
where:
Base-Base interactions energy: -810.846
where: short stacking energy: -339.867
Base-Backbone interact. energy: -2.675
local terms energy: -363.516282
where:
bonds (distance) C4'-P energy: -71.548
bonds (distance) P-C4' energy: -70.895
flat angles C4'-P-C4' energy: -70.632
flat angles P-C4'-P energy: -60.674
tors. eta vs tors. theta energy: -89.767
Dist. restrs. and SS energy: 5.675 (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: 9
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1185.079256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.079256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.370354 (E_RNA)
where:
Base-Base interactions energy: -843.697
where: short stacking energy: -357.893
Base-Backbone interact. energy: -2.739
local terms energy: -342.934401
where:
bonds (distance) C4'-P energy: -57.810
bonds (distance) P-C4' energy: -69.403
flat angles C4'-P-C4' energy: -67.580
flat angles P-C4'-P energy: -52.471
tors. eta vs tors. theta energy: -95.671
Dist. restrs. and SS energy: 4.291 (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: 6
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1111.028283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.028283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.714269 (E_RNA)
where:
Base-Base interactions energy: -756.629
where: short stacking energy: -325.161
Base-Backbone interact. energy: 0.494
local terms energy: -358.579775
where:
bonds (distance) C4'-P energy: -58.234
bonds (distance) P-C4' energy: -71.395
flat angles C4'-P-C4' energy: -77.694
flat angles P-C4'-P energy: -54.915
tors. eta vs tors. theta energy: -96.342
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: 5, replica: 5
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -999.598548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.598548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.402114 (E_RNA)
where:
Base-Base interactions energy: -679.025
where: short stacking energy: -264.878
Base-Backbone interact. energy: -0.522
local terms energy: -320.854956
where:
bonds (distance) C4'-P energy: -66.681
bonds (distance) P-C4' energy: -75.171
flat angles C4'-P-C4' energy: -65.391
flat angles P-C4'-P energy: -44.074
tors. eta vs tors. theta energy: -69.538
Dist. restrs. and SS energy: 0.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -999.745383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.745383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.704992 (E_RNA)
where:
Base-Base interactions energy: -699.708
where: short stacking energy: -283.202
Base-Backbone interact. energy: -1.007
local terms energy: -301.990368
where:
bonds (distance) C4'-P energy: -49.101
bonds (distance) P-C4' energy: -61.491
flat angles C4'-P-C4' energy: -71.190
flat angles P-C4'-P energy: -49.722
tors. eta vs tors. theta energy: -70.486
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: 7, replica: 2
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1021.961045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.961045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.342175 (E_RNA)
where:
Base-Base interactions energy: -703.015
where: short stacking energy: -267.482
Base-Backbone interact. energy: 0.455
local terms energy: -323.782142
where:
bonds (distance) C4'-P energy: -62.108
bonds (distance) P-C4' energy: -63.275
flat angles C4'-P-C4' energy: -79.570
flat angles P-C4'-P energy: -47.780
tors. eta vs tors. theta energy: -71.050
Dist. restrs. and SS energy: 4.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -983.583976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.583976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.620147 (E_RNA)
where:
Base-Base interactions energy: -686.611
where: short stacking energy: -296.440
Base-Backbone interact. energy: -1.358
local terms energy: -302.651240
where:
bonds (distance) C4'-P energy: -40.302
bonds (distance) P-C4' energy: -61.182
flat angles C4'-P-C4' energy: -65.270
flat angles P-C4'-P energy: -40.879
tors. eta vs tors. theta energy: -95.017
Dist. restrs. and SS energy: 7.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -888.502675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.502675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.009541 (E_RNA)
where:
Base-Base interactions energy: -614.869
where: short stacking energy: -250.512
Base-Backbone interact. energy: -2.209
local terms energy: -277.931666
where:
bonds (distance) C4'-P energy: -58.719
bonds (distance) P-C4' energy: -48.374
flat angles C4'-P-C4' energy: -68.296
flat angles P-C4'-P energy: -43.177
tors. eta vs tors. theta energy: -59.365
Dist. restrs. and SS energy: 6.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -865.262057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.262057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.520488 (E_RNA)
where:
Base-Base interactions energy: -593.515
where: short stacking energy: -231.706
Base-Backbone interact. energy: -2.119
local terms energy: -276.886306
where:
bonds (distance) C4'-P energy: -64.134
bonds (distance) P-C4' energy: -61.763
flat angles C4'-P-C4' energy: -62.572
flat angles P-C4'-P energy: -42.234
tors. eta vs tors. theta energy: -46.183
Dist. restrs. and SS energy: 7.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1291.162793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.162793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.077092 (E_RNA)
where:
Base-Base interactions energy: -917.459
where: short stacking energy: -376.697
Base-Backbone interact. energy: 0.390
local terms energy: -378.007382
where:
bonds (distance) C4'-P energy: -61.873
bonds (distance) P-C4' energy: -74.871
flat angles C4'-P-C4' energy: -81.729
flat angles P-C4'-P energy: -53.987
tors. eta vs tors. theta energy: -105.548
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: 2, replica: 7
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1212.499928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.499928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.726222 (E_RNA)
where:
Base-Base interactions energy: -823.756
where: short stacking energy: -340.974
Base-Backbone interact. energy: -2.101
local terms energy: -390.869510
where:
bonds (distance) C4'-P energy: -71.354
bonds (distance) P-C4' energy: -73.609
flat angles C4'-P-C4' energy: -81.516
flat angles P-C4'-P energy: -61.014
tors. eta vs tors. theta energy: -103.377
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: 3, replica: 9
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1200.119409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.119409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.263766 (E_RNA)
where:
Base-Base interactions energy: -848.887
where: short stacking energy: -345.775
Base-Backbone interact. energy: -2.697
local terms energy: -352.679429
where:
bonds (distance) C4'-P energy: -63.060
bonds (distance) P-C4' energy: -62.323
flat angles C4'-P-C4' energy: -80.091
flat angles P-C4'-P energy: -51.463
tors. eta vs tors. theta energy: -95.742
Dist. restrs. and SS energy: 4.144 (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: 6
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1096.693606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.693606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.136627 (E_RNA)
where:
Base-Base interactions energy: -770.080
where: short stacking energy: -314.816
Base-Backbone interact. energy: -0.835
local terms energy: -330.222286
where:
bonds (distance) C4'-P energy: -64.009
bonds (distance) P-C4' energy: -64.269
flat angles C4'-P-C4' energy: -63.969
flat angles P-C4'-P energy: -52.372
tors. eta vs tors. theta energy: -85.605
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: 5
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1023.250650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.250650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.983565 (E_RNA)
where:
Base-Base interactions energy: -682.787
where: short stacking energy: -270.205
Base-Backbone interact. energy: -4.825
local terms energy: -336.371041
where:
bonds (distance) C4'-P energy: -71.670
bonds (distance) P-C4' energy: -71.375
flat angles C4'-P-C4' energy: -68.639
flat angles P-C4'-P energy: -47.749
tors. eta vs tors. theta energy: -76.939
Dist. restrs. and SS energy: 0.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1010.272819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.272819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.371270 (E_RNA)
where:
Base-Base interactions energy: -705.699
where: short stacking energy: -290.864
Base-Backbone interact. energy: -3.005
local terms energy: -302.666820
where:
bonds (distance) C4'-P energy: -57.555
bonds (distance) P-C4' energy: -60.739
flat angles C4'-P-C4' energy: -67.849
flat angles P-C4'-P energy: -51.952
tors. eta vs tors. theta energy: -64.571
Dist. restrs. and SS energy: 1.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -963.768053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.768053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.668870 (E_RNA)
where:
Base-Base interactions energy: -673.213
where: short stacking energy: -282.261
Base-Backbone interact. energy: -1.393
local terms energy: -308.062302
where:
bonds (distance) C4'-P energy: -57.541
bonds (distance) P-C4' energy: -61.202
flat angles C4'-P-C4' energy: -69.775
flat angles P-C4'-P energy: -39.375
tors. eta vs tors. theta energy: -80.170
Dist. restrs. and SS energy: 18.901 (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: 2
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -992.764717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.764717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.120002 (E_RNA)
where:
Base-Base interactions energy: -701.050
where: short stacking energy: -286.371
Base-Backbone interact. energy: -0.613
local terms energy: -296.456906
where:
bonds (distance) C4'-P energy: -64.434
bonds (distance) P-C4' energy: -55.082
flat angles C4'-P-C4' energy: -64.748
flat angles P-C4'-P energy: -45.386
tors. eta vs tors. theta energy: -66.807
Dist. restrs. and SS energy: 5.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -868.897673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.897673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.664202 (E_RNA)
where:
Base-Base interactions energy: -606.763
where: short stacking energy: -244.294
Base-Backbone interact. energy: 4.012
local terms energy: -270.913806
where:
bonds (distance) C4'-P energy: -56.605
bonds (distance) P-C4' energy: -51.810
flat angles C4'-P-C4' energy: -68.120
flat angles P-C4'-P energy: -27.396
tors. eta vs tors. theta energy: -66.982
Dist. restrs. and SS energy: 4.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -835.867862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.867862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.062056 (E_RNA)
where:
Base-Base interactions energy: -589.449
where: short stacking energy: -240.734
Base-Backbone interact. energy: 1.228
local terms energy: -261.841220
where:
bonds (distance) C4'-P energy: -45.047
bonds (distance) P-C4' energy: -61.842
flat angles C4'-P-C4' energy: -60.455
flat angles P-C4'-P energy: -37.025
tors. eta vs tors. theta energy: -57.472
Dist. restrs. and SS energy: 14.194 (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: 4
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1292.683696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.683696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.054347 (E_RNA)
where:
Base-Base interactions energy: -911.274
where: short stacking energy: -378.419
Base-Backbone interact. energy: -0.128
local terms energy: -384.652474
where:
bonds (distance) C4'-P energy: -77.044
bonds (distance) P-C4' energy: -70.262
flat angles C4'-P-C4' energy: -78.132
flat angles P-C4'-P energy: -48.214
tors. eta vs tors. theta energy: -111.000
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: 2, replica: 7
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1211.497456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.497456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.417494 (E_RNA)
where:
Base-Base interactions energy: -855.674
where: short stacking energy: -351.913
Base-Backbone interact. energy: -1.386
local terms energy: -357.357071
where:
bonds (distance) C4'-P energy: -56.979
bonds (distance) P-C4' energy: -70.550
flat angles C4'-P-C4' energy: -74.769
flat angles P-C4'-P energy: -52.347
tors. eta vs tors. theta energy: -102.713
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: 3, replica: 9
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1194.399194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.399194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.375949 (E_RNA)
where:
Base-Base interactions energy: -836.964
where: short stacking energy: -344.504
Base-Backbone interact. energy: -3.706
local terms energy: -356.705969
where:
bonds (distance) C4'-P energy: -64.495
bonds (distance) P-C4' energy: -72.890
flat angles C4'-P-C4' energy: -76.102
flat angles P-C4'-P energy: -45.762
tors. eta vs tors. theta energy: -97.457
Dist. restrs. and SS energy: 2.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1114.019748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.019748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.494799 (E_RNA)
where:
Base-Base interactions energy: -784.528
where: short stacking energy: -331.859
Base-Backbone interact. energy: -0.340
local terms energy: -336.626451
where:
bonds (distance) C4'-P energy: -62.765
bonds (distance) P-C4' energy: -75.601
flat angles C4'-P-C4' energy: -69.812
flat angles P-C4'-P energy: -42.368
tors. eta vs tors. theta energy: -86.081
Dist. restrs. and SS energy: 7.475 (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: 451
Temperature: 1.100000
Total energy: -1009.071975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.071975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.836968 (E_RNA)
where:
Base-Base interactions energy: -686.157
where: short stacking energy: -288.954
Base-Backbone interact. energy: -0.807
local terms energy: -322.873274
where:
bonds (distance) C4'-P energy: -66.838
bonds (distance) P-C4' energy: -59.831
flat angles C4'-P-C4' energy: -65.470
flat angles P-C4'-P energy: -50.437
tors. eta vs tors. theta energy: -80.298
Dist. restrs. and SS energy: 0.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1009.900705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.900705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.608429 (E_RNA)
where:
Base-Base interactions energy: -719.650
where: short stacking energy: -300.096
Base-Backbone interact. energy: 0.075
local terms energy: -294.033292
where:
bonds (distance) C4'-P energy: -51.528
bonds (distance) P-C4' energy: -64.479
flat angles C4'-P-C4' energy: -61.536
flat angles P-C4'-P energy: -34.107
tors. eta vs tors. theta energy: -82.383
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: 7, replica: 8
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -982.807998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.807998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.972868 (E_RNA)
where:
Base-Base interactions energy: -701.020
where: short stacking energy: -270.167
Base-Backbone interact. energy: -1.060
local terms energy: -297.892712
where:
bonds (distance) C4'-P energy: -52.990
bonds (distance) P-C4' energy: -68.639
flat angles C4'-P-C4' energy: -65.258
flat angles P-C4'-P energy: -41.909
tors. eta vs tors. theta energy: -69.096
Dist. restrs. and SS energy: 17.165 (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: 451
Temperature: 1.250000
Total energy: -926.625617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.625617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.018749 (E_RNA)
where:
Base-Base interactions energy: -653.624
where: short stacking energy: -258.368
Base-Backbone interact. energy: 0.793
local terms energy: -284.187846
where:
bonds (distance) C4'-P energy: -58.787
bonds (distance) P-C4' energy: -64.780
flat angles C4'-P-C4' energy: -64.070
flat angles P-C4'-P energy: -37.327
tors. eta vs tors. theta energy: -59.224
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: 9, replica: 2
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -922.149436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.149436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.867202 (E_RNA)
where:
Base-Base interactions energy: -645.992
where: short stacking energy: -250.126
Base-Backbone interact. energy: 2.863
local terms energy: -284.737531
where:
bonds (distance) C4'-P energy: -58.268
bonds (distance) P-C4' energy: -66.179
flat angles C4'-P-C4' energy: -47.746
flat angles P-C4'-P energy: -43.218
tors. eta vs tors. theta energy: -69.326
Dist. restrs. and SS energy: 5.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -825.206610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.206610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.435921 (E_RNA)
where:
Base-Base interactions energy: -587.964
where: short stacking energy: -229.451
Base-Backbone interact. energy: -0.732
local terms energy: -243.740499
where:
bonds (distance) C4'-P energy: -58.412
bonds (distance) P-C4' energy: -47.159
flat angles C4'-P-C4' energy: -63.155
flat angles P-C4'-P energy: -21.522
tors. eta vs tors. theta energy: -53.492
Dist. restrs. and SS energy: 7.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1280.900887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.900887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.064356 (E_RNA)
where:
Base-Base interactions energy: -910.962
where: short stacking energy: -365.677
Base-Backbone interact. energy: -2.728
local terms energy: -370.373993
where:
bonds (distance) C4'-P energy: -64.049
bonds (distance) P-C4' energy: -69.396
flat angles C4'-P-C4' energy: -78.107
flat angles P-C4'-P energy: -53.079
tors. eta vs tors. theta energy: -105.743
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: 2, replica: 7
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1202.170957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.170957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.076200 (E_RNA)
where:
Base-Base interactions energy: -849.124
where: short stacking energy: -339.122
Base-Backbone interact. energy: -5.179
local terms energy: -350.773649
where:
bonds (distance) C4'-P energy: -67.178
bonds (distance) P-C4' energy: -62.642
flat angles C4'-P-C4' energy: -77.157
flat angles P-C4'-P energy: -47.997
tors. eta vs tors. theta energy: -95.800
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: 3, replica: 9
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1197.656962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.656962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.826017 (E_RNA)
where:
Base-Base interactions energy: -844.665
where: short stacking energy: -332.150
Base-Backbone interact. energy: -2.002
local terms energy: -355.159007
where:
bonds (distance) C4'-P energy: -64.413
bonds (distance) P-C4' energy: -73.061
flat angles C4'-P-C4' energy: -75.612
flat angles P-C4'-P energy: -48.684
tors. eta vs tors. theta energy: -93.389
Dist. restrs. and SS energy: 4.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1088.061927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.061927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.228100 (E_RNA)
where:
Base-Base interactions energy: -779.425
where: short stacking energy: -314.146
Base-Backbone interact. energy: -1.597
local terms energy: -311.206628
where:
bonds (distance) C4'-P energy: -62.827
bonds (distance) P-C4' energy: -55.484
flat angles C4'-P-C4' energy: -66.641
flat angles P-C4'-P energy: -46.488
tors. eta vs tors. theta energy: -79.767
Dist. restrs. and SS energy: 4.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1031.427163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.427163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.646115 (E_RNA)
where:
Base-Base interactions energy: -718.222
where: short stacking energy: -298.462
Base-Backbone interact. energy: -1.406
local terms energy: -316.017663
where:
bonds (distance) C4'-P energy: -57.588
bonds (distance) P-C4' energy: -67.020
flat angles C4'-P-C4' energy: -66.329
flat angles P-C4'-P energy: -46.530
tors. eta vs tors. theta energy: -78.550
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: 6, replica: 1
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1026.599182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.599182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.645175 (E_RNA)
where:
Base-Base interactions energy: -724.751
where: short stacking energy: -308.154
Base-Backbone interact. energy: -2.963
local terms energy: -299.931452
where:
bonds (distance) C4'-P energy: -35.354
bonds (distance) P-C4' energy: -58.614
flat angles C4'-P-C4' energy: -73.571
flat angles P-C4'-P energy: -45.071
tors. eta vs tors. theta energy: -87.322
Dist. restrs. and SS energy: 1.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -960.611296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.611296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.384412 (E_RNA)
where:
Base-Base interactions energy: -675.696
where: short stacking energy: -290.138
Base-Backbone interact. energy: -2.564
local terms energy: -289.124008
where:
bonds (distance) C4'-P energy: -58.134
bonds (distance) P-C4' energy: -68.226
flat angles C4'-P-C4' energy: -75.863
flat angles P-C4'-P energy: -23.381
tors. eta vs tors. theta energy: -63.520
Dist. restrs. and SS energy: 6.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1019.255322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.255322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.557871 (E_RNA)
where:
Base-Base interactions energy: -700.043
where: short stacking energy: -303.598
Base-Backbone interact. energy: 5.138
local terms energy: -340.653339
where:
bonds (distance) C4'-P energy: -56.095
bonds (distance) P-C4' energy: -70.293
flat angles C4'-P-C4' energy: -74.118
flat angles P-C4'-P energy: -44.363
tors. eta vs tors. theta energy: -95.784
Dist. restrs. and SS energy: 16.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -923.410007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.410007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.617870 (E_RNA)
where:
Base-Base interactions energy: -637.510
where: short stacking energy: -252.607
Base-Backbone interact. energy: -2.555
local terms energy: -288.552665
where:
bonds (distance) C4'-P energy: -48.539
bonds (distance) P-C4' energy: -66.804
flat angles C4'-P-C4' energy: -64.053
flat angles P-C4'-P energy: -41.383
tors. eta vs tors. theta energy: -67.774
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: 10, replica: 3
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -879.857756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.857756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.679706 (E_RNA)
where:
Base-Base interactions energy: -617.900
where: short stacking energy: -235.699
Base-Backbone interact. energy: -1.686
local terms energy: -267.094152
where:
bonds (distance) C4'-P energy: -63.951
bonds (distance) P-C4' energy: -48.649
flat angles C4'-P-C4' energy: -58.577
flat angles P-C4'-P energy: -40.372
tors. eta vs tors. theta energy: -55.545
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: 4
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1294.532792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.532792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.003887 (E_RNA)
where:
Base-Base interactions energy: -901.982
where: short stacking energy: -364.935
Base-Backbone interact. energy: -2.626
local terms energy: -392.395142
where:
bonds (distance) C4'-P energy: -75.487
bonds (distance) P-C4' energy: -67.068
flat angles C4'-P-C4' energy: -86.794
flat angles P-C4'-P energy: -54.205
tors. eta vs tors. theta energy: -108.841
Dist. restrs. and SS energy: 2.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1212.019515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.019515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.725226 (E_RNA)
where:
Base-Base interactions energy: -877.679
where: short stacking energy: -347.117
Base-Backbone interact. energy: 0.379
local terms energy: -339.425923
where:
bonds (distance) C4'-P energy: -46.994
bonds (distance) P-C4' energy: -64.077
flat angles C4'-P-C4' energy: -83.329
flat angles P-C4'-P energy: -47.319
tors. eta vs tors. theta energy: -97.707
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: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1187.629622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.629622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.926458 (E_RNA)
where:
Base-Base interactions energy: -831.121
where: short stacking energy: -342.287
Base-Backbone interact. energy: -1.743
local terms energy: -358.062502
where:
bonds (distance) C4'-P energy: -67.941
bonds (distance) P-C4' energy: -68.820
flat angles C4'-P-C4' energy: -67.903
flat angles P-C4'-P energy: -49.764
tors. eta vs tors. theta energy: -103.635
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: 6
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1106.648620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.648620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.895518 (E_RNA)
where:
Base-Base interactions energy: -770.346
where: short stacking energy: -318.622
Base-Backbone interact. energy: -0.779
local terms energy: -339.770679
where:
bonds (distance) C4'-P energy: -71.469
bonds (distance) P-C4' energy: -65.561
flat angles C4'-P-C4' energy: -70.741
flat angles P-C4'-P energy: -51.922
tors. eta vs tors. theta energy: -80.078
Dist. restrs. and SS energy: 4.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1034.021606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.021606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.816658 (E_RNA)
where:
Base-Base interactions energy: -714.434
where: short stacking energy: -272.272
Base-Backbone interact. energy: -1.561
local terms energy: -318.821472
where:
bonds (distance) C4'-P energy: -60.756
bonds (distance) P-C4' energy: -55.681
flat angles C4'-P-C4' energy: -77.748
flat angles P-C4'-P energy: -46.832
tors. eta vs tors. theta energy: -77.804
Dist. restrs. and SS energy: 0.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -990.371254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.371254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.611036 (E_RNA)
where:
Base-Base interactions energy: -682.113
where: short stacking energy: -297.502
Base-Backbone interact. energy: -0.253
local terms energy: -315.245120
where:
bonds (distance) C4'-P energy: -65.093
bonds (distance) P-C4' energy: -53.383
flat angles C4'-P-C4' energy: -68.818
flat angles P-C4'-P energy: -45.370
tors. eta vs tors. theta energy: -82.581
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: 7, replica: 10
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -957.486619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.486619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.547649 (E_RNA)
where:
Base-Base interactions energy: -658.894
where: short stacking energy: -258.952
Base-Backbone interact. energy: -0.165
local terms energy: -302.488679
where:
bonds (distance) C4'-P energy: -55.688
bonds (distance) P-C4' energy: -69.569
flat angles C4'-P-C4' energy: -70.253
flat angles P-C4'-P energy: -46.662
tors. eta vs tors. theta energy: -60.317
Dist. restrs. and SS energy: 4.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -946.062597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.062597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.270993 (E_RNA)
where:
Base-Base interactions energy: -662.032
where: short stacking energy: -270.065
Base-Backbone interact. energy: -0.411
local terms energy: -292.827496
where:
bonds (distance) C4'-P energy: -67.460
bonds (distance) P-C4' energy: -43.746
flat angles C4'-P-C4' energy: -70.641
flat angles P-C4'-P energy: -43.904
tors. eta vs tors. theta energy: -67.078
Dist. restrs. and SS energy: 9.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -952.018429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.018429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.353707 (E_RNA)
where:
Base-Base interactions energy: -652.136
where: short stacking energy: -253.077
Base-Backbone interact. energy: -2.003
local terms energy: -306.214919
where:
bonds (distance) C4'-P energy: -65.089
bonds (distance) P-C4' energy: -64.822
flat angles C4'-P-C4' energy: -64.040
flat angles P-C4'-P energy: -40.944
tors. eta vs tors. theta energy: -71.320
Dist. restrs. and SS energy: 8.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -826.991726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.991726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.902966 (E_RNA)
where:
Base-Base interactions energy: -593.915
where: short stacking energy: -238.605
Base-Backbone interact. energy: -0.578
local terms energy: -238.409449
where:
bonds (distance) C4'-P energy: -38.403
bonds (distance) P-C4' energy: -44.362
flat angles C4'-P-C4' energy: -56.317
flat angles P-C4'-P energy: -40.512
tors. eta vs tors. theta energy: -58.816
Dist. restrs. and SS energy: 5.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1262.982907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.982907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.583360 (E_RNA)
where:
Base-Base interactions energy: -886.016
where: short stacking energy: -371.150
Base-Backbone interact. energy: -1.674
local terms energy: -376.892970
where:
bonds (distance) C4'-P energy: -61.453
bonds (distance) P-C4' energy: -81.006
flat angles C4'-P-C4' energy: -77.169
flat angles P-C4'-P energy: -54.446
tors. eta vs tors. theta energy: -102.818
Dist. restrs. and SS energy: 1.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1261.858473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.858473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.196971 (E_RNA)
where:
Base-Base interactions energy: -883.571
where: short stacking energy: -375.355
Base-Backbone interact. energy: -0.177
local terms energy: -381.449415
where:
bonds (distance) C4'-P energy: -61.451
bonds (distance) P-C4' energy: -68.125
flat angles C4'-P-C4' energy: -77.466
flat angles P-C4'-P energy: -60.688
tors. eta vs tors. theta energy: -113.720
Dist. restrs. and SS energy: 3.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1174.596465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.596465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.055430 (E_RNA)
where:
Base-Base interactions energy: -801.556
where: short stacking energy: -335.714
Base-Backbone interact. energy: -1.450
local terms energy: -375.049382
where:
bonds (distance) C4'-P energy: -67.532
bonds (distance) P-C4' energy: -76.117
flat angles C4'-P-C4' energy: -84.979
flat angles P-C4'-P energy: -54.941
tors. eta vs tors. theta energy: -91.481
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: 4, replica: 6
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1077.501984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.501984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.435600 (E_RNA)
where:
Base-Base interactions energy: -751.587
where: short stacking energy: -288.657
Base-Backbone interact. energy: -2.394
local terms energy: -328.455317
where:
bonds (distance) C4'-P energy: -70.705
bonds (distance) P-C4' energy: -59.228
flat angles C4'-P-C4' energy: -67.183
flat angles P-C4'-P energy: -45.046
tors. eta vs tors. theta energy: -86.294
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: 5, replica: 5
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1077.825972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.825972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.982928 (E_RNA)
where:
Base-Base interactions energy: -737.332
where: short stacking energy: -315.383
Base-Backbone interact. energy: -2.551
local terms energy: -339.100388
where:
bonds (distance) C4'-P energy: -65.600
bonds (distance) P-C4' energy: -54.958
flat angles C4'-P-C4' energy: -74.432
flat angles P-C4'-P energy: -49.796
tors. eta vs tors. theta energy: -94.314
Dist. restrs. and SS energy: 1.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -989.857127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.857127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.133795 (E_RNA)
where:
Base-Base interactions energy: -681.199
where: short stacking energy: -284.783
Base-Backbone interact. energy: -1.721
local terms energy: -311.213577
where:
bonds (distance) C4'-P energy: -59.340
bonds (distance) P-C4' energy: -68.316
flat angles C4'-P-C4' energy: -56.402
flat angles P-C4'-P energy: -48.602
tors. eta vs tors. theta energy: -78.554
Dist. restrs. and SS energy: 4.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -968.658952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.658952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.156039 (E_RNA)
where:
Base-Base interactions energy: -669.436
where: short stacking energy: -277.119
Base-Backbone interact. energy: -1.126
local terms energy: -305.594008
where:
bonds (distance) C4'-P energy: -63.813
bonds (distance) P-C4' energy: -51.025
flat angles C4'-P-C4' energy: -72.231
flat angles P-C4'-P energy: -42.901
tors. eta vs tors. theta energy: -75.624
Dist. restrs. and SS energy: 7.497 (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: 8
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -977.694898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.694898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.391549 (E_RNA)
where:
Base-Base interactions energy: -697.419
where: short stacking energy: -287.981
Base-Backbone interact. energy: -1.702
local terms energy: -282.270813
where:
bonds (distance) C4'-P energy: -54.385
bonds (distance) P-C4' energy: -65.544
flat angles C4'-P-C4' energy: -59.117
flat angles P-C4'-P energy: -33.103
tors. eta vs tors. theta energy: -70.122
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: 2
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -950.390442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.390442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.501782 (E_RNA)
where:
Base-Base interactions energy: -675.930
where: short stacking energy: -257.813
Base-Backbone interact. energy: 0.001
local terms energy: -280.573149
where:
bonds (distance) C4'-P energy: -51.243
bonds (distance) P-C4' energy: -59.585
flat angles C4'-P-C4' energy: -57.850
flat angles P-C4'-P energy: -39.837
tors. eta vs tors. theta energy: -72.058
Dist. restrs. and SS energy: 6.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -815.613494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.613494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.439559 (E_RNA)
where:
Base-Base interactions energy: -565.836
where: short stacking energy: -211.530
Base-Backbone interact. energy: 0.683
local terms energy: -259.286161
where:
bonds (distance) C4'-P energy: -64.016
bonds (distance) P-C4' energy: -72.529
flat angles C4'-P-C4' energy: -54.686
flat angles P-C4'-P energy: -36.980
tors. eta vs tors. theta energy: -31.075
Dist. restrs. and SS energy: 8.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1251.509085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.509085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.433801 (E_RNA)
where:
Base-Base interactions energy: -880.440
where: short stacking energy: -359.017
Base-Backbone interact. energy: 2.922
local terms energy: -377.916674
where:
bonds (distance) C4'-P energy: -67.058
bonds (distance) P-C4' energy: -73.249
flat angles C4'-P-C4' energy: -82.593
flat angles P-C4'-P energy: -59.696
tors. eta vs tors. theta energy: -95.321
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: 2, replica: 4
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1272.822170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.822170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.761294 (E_RNA)
where:
Base-Base interactions energy: -881.302
where: short stacking energy: -356.301
Base-Backbone interact. energy: 1.627
local terms energy: -396.086932
where:
bonds (distance) C4'-P energy: -75.962
bonds (distance) P-C4' energy: -80.056
flat angles C4'-P-C4' energy: -79.183
flat angles P-C4'-P energy: -54.025
tors. eta vs tors. theta energy: -106.861
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: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1175.933509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.933509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.029030 (E_RNA)
where:
Base-Base interactions energy: -814.255
where: short stacking energy: -339.403
Base-Backbone interact. energy: 2.009
local terms energy: -369.782492
where:
bonds (distance) C4'-P energy: -68.711
bonds (distance) P-C4' energy: -71.712
flat angles C4'-P-C4' energy: -76.857
flat angles P-C4'-P energy: -53.874
tors. eta vs tors. theta energy: -98.629
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: 4, replica: 6
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1112.252503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.252503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.520219 (E_RNA)
where:
Base-Base interactions energy: -767.176
where: short stacking energy: -326.796
Base-Backbone interact. energy: -2.496
local terms energy: -347.848151
where:
bonds (distance) C4'-P energy: -68.608
bonds (distance) P-C4' energy: -51.885
flat angles C4'-P-C4' energy: -82.401
flat angles P-C4'-P energy: -57.178
tors. eta vs tors. theta energy: -87.777
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: 5, replica: 5
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1056.448493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.448493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.017599 (E_RNA)
where:
Base-Base interactions energy: -746.045
where: short stacking energy: -294.811
Base-Backbone interact. energy: -0.750
local terms energy: -310.222841
where:
bonds (distance) C4'-P energy: -57.747
bonds (distance) P-C4' energy: -46.625
flat angles C4'-P-C4' energy: -73.428
flat angles P-C4'-P energy: -50.937
tors. eta vs tors. theta energy: -81.486
Dist. restrs. and SS energy: 0.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1000.872456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.872456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.859261 (E_RNA)
where:
Base-Base interactions energy: -702.545
where: short stacking energy: -305.241
Base-Backbone interact. energy: -2.009
local terms energy: -306.305531
where:
bonds (distance) C4'-P energy: -58.762
bonds (distance) P-C4' energy: -58.727
flat angles C4'-P-C4' energy: -76.322
flat angles P-C4'-P energy: -35.415
tors. eta vs tors. theta energy: -77.080
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: 7, replica: 10
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -979.361094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.361094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.572785 (E_RNA)
where:
Base-Base interactions energy: -691.955
where: short stacking energy: -274.007
Base-Backbone interact. energy: -2.825
local terms energy: -290.792869
where:
bonds (distance) C4'-P energy: -60.435
bonds (distance) P-C4' energy: -51.941
flat angles C4'-P-C4' energy: -63.149
flat angles P-C4'-P energy: -43.022
tors. eta vs tors. theta energy: -72.246
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: 8, replica: 2
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -972.193539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.193539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.728492 (E_RNA)
where:
Base-Base interactions energy: -698.622
where: short stacking energy: -275.984
Base-Backbone interact. energy: 2.945
local terms energy: -281.050960
where:
bonds (distance) C4'-P energy: -51.170
bonds (distance) P-C4' energy: -47.493
flat angles C4'-P-C4' energy: -72.975
flat angles P-C4'-P energy: -35.951
tors. eta vs tors. theta energy: -73.462
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: 9, replica: 8
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -926.719316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.719316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.681755 (E_RNA)
where:
Base-Base interactions energy: -652.673
where: short stacking energy: -253.323
Base-Backbone interact. energy: -0.454
local terms energy: -277.554869
where:
bonds (distance) C4'-P energy: -43.114
bonds (distance) P-C4' energy: -64.524
flat angles C4'-P-C4' energy: -67.204
flat angles P-C4'-P energy: -42.769
tors. eta vs tors. theta energy: -59.944
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: 10, replica: 3
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -828.678058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.678058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.006899 (E_RNA)
where:
Base-Base interactions energy: -576.265
where: short stacking energy: -232.729
Base-Backbone interact. energy: -1.898
local terms energy: -254.843293
where:
bonds (distance) C4'-P energy: -49.448
bonds (distance) P-C4' energy: -58.694
flat angles C4'-P-C4' energy: -60.626
flat angles P-C4'-P energy: -41.467
tors. eta vs tors. theta energy: -44.609
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: 1, replica: 4
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1281.155888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.155888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.503898 (E_RNA)
where:
Base-Base interactions energy: -909.155
where: short stacking energy: -369.177
Base-Backbone interact. energy: -2.461
local terms energy: -372.887376
where:
bonds (distance) C4'-P energy: -64.737
bonds (distance) P-C4' energy: -71.346
flat angles C4'-P-C4' energy: -76.393
flat angles P-C4'-P energy: -50.372
tors. eta vs tors. theta energy: -110.039
Dist. restrs. and SS energy: 3.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1224.431042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.431042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.804848 (E_RNA)
where:
Base-Base interactions energy: -848.114
where: short stacking energy: -363.343
Base-Backbone interact. energy: 0.171
local terms energy: -379.862025
where:
bonds (distance) C4'-P energy: -72.313
bonds (distance) P-C4' energy: -79.371
flat angles C4'-P-C4' energy: -74.897
flat angles P-C4'-P energy: -46.219
tors. eta vs tors. theta energy: -107.062
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: 3, replica: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1177.950616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.950616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.642880 (E_RNA)
where:
Base-Base interactions energy: -829.990
where: short stacking energy: -343.110
Base-Backbone interact. energy: -1.716
local terms energy: -349.936870
where:
bonds (distance) C4'-P energy: -62.536
bonds (distance) P-C4' energy: -62.232
flat angles C4'-P-C4' energy: -72.153
flat angles P-C4'-P energy: -49.584
tors. eta vs tors. theta energy: -103.431
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: 4, replica: 6
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1070.490691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.490691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.840096 (E_RNA)
where:
Base-Base interactions energy: -752.072
where: short stacking energy: -309.326
Base-Backbone interact. energy: -1.149
local terms energy: -323.619435
where:
bonds (distance) C4'-P energy: -70.253
bonds (distance) P-C4' energy: -65.760
flat angles C4'-P-C4' energy: -68.365
flat angles P-C4'-P energy: -34.581
tors. eta vs tors. theta energy: -84.660
Dist. restrs. and SS energy: 6.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1087.006479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.006479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.827100 (E_RNA)
where:
Base-Base interactions energy: -747.777
where: short stacking energy: -308.803
Base-Backbone interact. energy: -2.683
local terms energy: -339.367418
where:
bonds (distance) C4'-P energy: -61.886
bonds (distance) P-C4' energy: -65.611
flat angles C4'-P-C4' energy: -71.494
flat angles P-C4'-P energy: -52.862
tors. eta vs tors. theta energy: -87.514
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: 6, replica: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1004.322922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.322922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.940068 (E_RNA)
where:
Base-Base interactions energy: -692.196
where: short stacking energy: -290.009
Base-Backbone interact. energy: -1.030
local terms energy: -319.714553
where:
bonds (distance) C4'-P energy: -64.000
bonds (distance) P-C4' energy: -56.194
flat angles C4'-P-C4' energy: -73.013
flat angles P-C4'-P energy: -49.613
tors. eta vs tors. theta energy: -76.894
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: 7, replica: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -998.239594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.239594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.940344 (E_RNA)
where:
Base-Base interactions energy: -673.141
where: short stacking energy: -272.604
Base-Backbone interact. energy: -0.075
local terms energy: -330.723776
where:
bonds (distance) C4'-P energy: -77.336
bonds (distance) P-C4' energy: -57.453
flat angles C4'-P-C4' energy: -65.973
flat angles P-C4'-P energy: -45.078
tors. eta vs tors. theta energy: -84.883
Dist. restrs. and SS energy: 5.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -982.541934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.541934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.844267 (E_RNA)
where:
Base-Base interactions energy: -686.104
where: short stacking energy: -270.256
Base-Backbone interact. energy: -0.477
local terms energy: -299.263347
where:
bonds (distance) C4'-P energy: -49.488
bonds (distance) P-C4' energy: -59.120
flat angles C4'-P-C4' energy: -66.591
flat angles P-C4'-P energy: -44.654
tors. eta vs tors. theta energy: -79.409
Dist. restrs. and SS energy: 3.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -942.061484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.061484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.729884 (E_RNA)
where:
Base-Base interactions energy: -680.422
where: short stacking energy: -257.025
Base-Backbone interact. energy: -0.512
local terms energy: -270.795035
where:
bonds (distance) C4'-P energy: -37.700
bonds (distance) P-C4' energy: -63.495
flat angles C4'-P-C4' energy: -59.823
flat angles P-C4'-P energy: -44.449
tors. eta vs tors. theta energy: -65.328
Dist. restrs. and SS energy: 9.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -839.926275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.926275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.431267 (E_RNA)
where:
Base-Base interactions energy: -584.849
where: short stacking energy: -228.653
Base-Backbone interact. energy: 0.655
local terms energy: -263.236541
where:
bonds (distance) C4'-P energy: -58.251
bonds (distance) P-C4' energy: -58.685
flat angles C4'-P-C4' energy: -63.788
flat angles P-C4'-P energy: -27.403
tors. eta vs tors. theta energy: -55.109
Dist. restrs. and SS energy: 7.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1277.962763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.962763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.823545 (E_RNA)
where:
Base-Base interactions energy: -878.269
where: short stacking energy: -349.621
Base-Backbone interact. energy: -3.148
local terms energy: -399.405837
where:
bonds (distance) C4'-P energy: -75.980
bonds (distance) P-C4' energy: -73.521
flat angles C4'-P-C4' energy: -84.229
flat angles P-C4'-P energy: -60.537
tors. eta vs tors. theta energy: -105.139
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: 2, replica: 9
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1228.104309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.104309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.683761 (E_RNA)
where:
Base-Base interactions energy: -852.630
where: short stacking energy: -367.469
Base-Backbone interact. energy: -2.720
local terms energy: -375.333817
where:
bonds (distance) C4'-P energy: -65.449
bonds (distance) P-C4' energy: -74.215
flat angles C4'-P-C4' energy: -78.257
flat angles P-C4'-P energy: -49.589
tors. eta vs tors. theta energy: -107.824
Dist. restrs. and SS energy: 2.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1174.414202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.414202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.860325 (E_RNA)
where:
Base-Base interactions energy: -827.047
where: short stacking energy: -338.309
Base-Backbone interact. energy: -1.249
local terms energy: -349.563607
where:
bonds (distance) C4'-P energy: -69.830
bonds (distance) P-C4' energy: -62.086
flat angles C4'-P-C4' energy: -76.406
flat angles P-C4'-P energy: -47.739
tors. eta vs tors. theta energy: -93.502
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: 4, replica: 6
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1091.009546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.009546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.875711 (E_RNA)
where:
Base-Base interactions energy: -761.037
where: short stacking energy: -320.246
Base-Backbone interact. energy: -1.112
local terms energy: -333.726742
where:
bonds (distance) C4'-P energy: -60.858
bonds (distance) P-C4' energy: -67.174
flat angles C4'-P-C4' energy: -67.015
flat angles P-C4'-P energy: -48.358
tors. eta vs tors. theta energy: -90.322
Dist. restrs. and SS energy: 4.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1093.324483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.324483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.610092 (E_RNA)
where:
Base-Base interactions energy: -770.687
where: short stacking energy: -300.905
Base-Backbone interact. energy: -4.531
local terms energy: -321.392008
where:
bonds (distance) C4'-P energy: -56.130
bonds (distance) P-C4' energy: -62.892
flat angles C4'-P-C4' energy: -67.951
flat angles P-C4'-P energy: -48.699
tors. eta vs tors. theta energy: -85.721
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: 6, replica: 1
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1021.702545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.702545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.869475 (E_RNA)
where:
Base-Base interactions energy: -704.609
where: short stacking energy: -279.105
Base-Backbone interact. energy: -0.898
local terms energy: -317.362222
where:
bonds (distance) C4'-P energy: -67.044
bonds (distance) P-C4' energy: -62.811
flat angles C4'-P-C4' energy: -66.391
flat angles P-C4'-P energy: -48.062
tors. eta vs tors. theta energy: -73.056
Dist. restrs. and SS energy: 1.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -945.685271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.685271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.565071 (E_RNA)
where:
Base-Base interactions energy: -648.859
where: short stacking energy: -257.623
Base-Backbone interact. energy: 2.804
local terms energy: -308.509985
where:
bonds (distance) C4'-P energy: -64.225
bonds (distance) P-C4' energy: -58.452
flat angles C4'-P-C4' energy: -68.373
flat angles P-C4'-P energy: -51.690
tors. eta vs tors. theta energy: -65.769
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: 8, replica: 2
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -976.109120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.109120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.263278 (E_RNA)
where:
Base-Base interactions energy: -674.397
where: short stacking energy: -261.199
Base-Backbone interact. energy: -1.653
local terms energy: -302.213077
where:
bonds (distance) C4'-P energy: -65.339
bonds (distance) P-C4' energy: -56.797
flat angles C4'-P-C4' energy: -58.397
flat angles P-C4'-P energy: -41.932
tors. eta vs tors. theta energy: -79.748
Dist. restrs. and SS energy: 2.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -930.404867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.404867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.798740 (E_RNA)
where:
Base-Base interactions energy: -673.579
where: short stacking energy: -263.196
Base-Backbone interact. energy: 2.063
local terms energy: -268.282641
where:
bonds (distance) C4'-P energy: -62.138
bonds (distance) P-C4' energy: -50.592
flat angles C4'-P-C4' energy: -63.786
flat angles P-C4'-P energy: -35.093
tors. eta vs tors. theta energy: -56.673
Dist. restrs. and SS energy: 9.394 (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: 3
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -865.604176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.604176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.120132 (E_RNA)
where:
Base-Base interactions energy: -599.644
where: short stacking energy: -232.514
Base-Backbone interact. energy: 1.643
local terms energy: -276.119120
where:
bonds (distance) C4'-P energy: -53.720
bonds (distance) P-C4' energy: -59.194
flat angles C4'-P-C4' energy: -55.504
flat angles P-C4'-P energy: -44.264
tors. eta vs tors. theta energy: -63.438
Dist. restrs. and SS energy: 8.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1265.185384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.185384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.671921 (E_RNA)
where:
Base-Base interactions energy: -881.116
where: short stacking energy: -361.592
Base-Backbone interact. energy: -0.102
local terms energy: -386.454341
where:
bonds (distance) C4'-P energy: -72.573
bonds (distance) P-C4' energy: -70.757
flat angles C4'-P-C4' energy: -74.763
flat angles P-C4'-P energy: -57.818
tors. eta vs tors. theta energy: -110.544
Dist. restrs. and SS energy: 2.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1238.674860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.674860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.340868 (E_RNA)
where:
Base-Base interactions energy: -860.070
where: short stacking energy: -350.751
Base-Backbone interact. energy: -0.685
local terms energy: -380.585754
where:
bonds (distance) C4'-P energy: -61.059
bonds (distance) P-C4' energy: -73.229
flat angles C4'-P-C4' energy: -80.574
flat angles P-C4'-P energy: -58.989
tors. eta vs tors. theta energy: -106.734
Dist. restrs. and SS energy: 2.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1126.878046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.878046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.593022 (E_RNA)
where:
Base-Base interactions energy: -769.852
where: short stacking energy: -322.366
Base-Backbone interact. energy: -3.289
local terms energy: -361.452088
where:
bonds (distance) C4'-P energy: -69.375
bonds (distance) P-C4' energy: -63.305
flat angles C4'-P-C4' energy: -81.787
flat angles P-C4'-P energy: -50.172
tors. eta vs tors. theta energy: -96.813
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: 4, replica: 7
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1138.697955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.697955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.598439 (E_RNA)
where:
Base-Base interactions energy: -801.164
where: short stacking energy: -333.873
Base-Backbone interact. energy: -0.618
local terms energy: -342.816691
where:
bonds (distance) C4'-P energy: -63.413
bonds (distance) P-C4' energy: -71.661
flat angles C4'-P-C4' energy: -71.346
flat angles P-C4'-P energy: -43.787
tors. eta vs tors. theta energy: -92.609
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: 5, replica: 5
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1087.584735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.584735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.568915 (E_RNA)
where:
Base-Base interactions energy: -750.968
where: short stacking energy: -320.931
Base-Backbone interact. energy: -1.021
local terms energy: -339.579063
where:
bonds (distance) C4'-P energy: -62.825
bonds (distance) P-C4' energy: -69.101
flat angles C4'-P-C4' energy: -61.270
flat angles P-C4'-P energy: -54.827
tors. eta vs tors. theta energy: -91.556
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: 6, replica: 1
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1013.065418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.065418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.086757 (E_RNA)
where:
Base-Base interactions energy: -705.815
where: short stacking energy: -277.535
Base-Backbone interact. energy: -1.148
local terms energy: -307.124240
where:
bonds (distance) C4'-P energy: -37.513
bonds (distance) P-C4' energy: -65.293
flat angles C4'-P-C4' energy: -81.772
flat angles P-C4'-P energy: -43.111
tors. eta vs tors. theta energy: -79.435
Dist. restrs. and SS energy: 1.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -988.644393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.644393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.325962 (E_RNA)
where:
Base-Base interactions energy: -690.808
where: short stacking energy: -282.974
Base-Backbone interact. energy: -0.605
local terms energy: -304.912696
where:
bonds (distance) C4'-P energy: -52.329
bonds (distance) P-C4' energy: -60.947
flat angles C4'-P-C4' energy: -66.927
flat angles P-C4'-P energy: -40.268
tors. eta vs tors. theta energy: -84.442
Dist. restrs. and SS energy: 7.682 (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: 458
Temperature: 1.250000
Total energy: -957.746088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.746088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.065047 (E_RNA)
where:
Base-Base interactions energy: -670.015
where: short stacking energy: -260.799
Base-Backbone interact. energy: -0.960
local terms energy: -292.090181
where:
bonds (distance) C4'-P energy: -57.678
bonds (distance) P-C4' energy: -59.553
flat angles C4'-P-C4' energy: -63.075
flat angles P-C4'-P energy: -45.001
tors. eta vs tors. theta energy: -66.782
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: 8
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -894.072211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.072211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.244172 (E_RNA)
where:
Base-Base interactions energy: -646.592
where: short stacking energy: -260.304
Base-Backbone interact. energy: 3.808
local terms energy: -258.460404
where:
bonds (distance) C4'-P energy: -48.468
bonds (distance) P-C4' energy: -42.542
flat angles C4'-P-C4' energy: -56.111
flat angles P-C4'-P energy: -46.557
tors. eta vs tors. theta energy: -64.783
Dist. restrs. and SS energy: 7.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -859.640708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.640708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.001036 (E_RNA)
where:
Base-Base interactions energy: -619.377
where: short stacking energy: -246.006
Base-Backbone interact. energy: -1.417
local terms energy: -244.207258
where:
bonds (distance) C4'-P energy: -46.765
bonds (distance) P-C4' energy: -56.390
flat angles C4'-P-C4' energy: -70.208
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -55.509
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: 1, replica: 4
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1271.011861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.011861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.326373 (E_RNA)
where:
Base-Base interactions energy: -871.110
where: short stacking energy: -355.186
Base-Backbone interact. energy: -2.055
local terms energy: -401.160924
where:
bonds (distance) C4'-P energy: -74.626
bonds (distance) P-C4' energy: -67.477
flat angles C4'-P-C4' energy: -87.688
flat angles P-C4'-P energy: -53.620
tors. eta vs tors. theta energy: -117.750
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: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1252.986439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.986439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.723947 (E_RNA)
where:
Base-Base interactions energy: -869.364
where: short stacking energy: -366.379
Base-Backbone interact. energy: -2.443
local terms energy: -384.917828
where:
bonds (distance) C4'-P energy: -66.602
bonds (distance) P-C4' energy: -68.228
flat angles C4'-P-C4' energy: -83.014
flat angles P-C4'-P energy: -54.234
tors. eta vs tors. theta energy: -112.840
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: 3, replica: 6
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1144.485529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.485529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.930222 (E_RNA)
where:
Base-Base interactions energy: -791.382
where: short stacking energy: -323.048
Base-Backbone interact. energy: -0.767
local terms energy: -355.780899
where:
bonds (distance) C4'-P energy: -68.974
bonds (distance) P-C4' energy: -61.082
flat angles C4'-P-C4' energy: -74.967
flat angles P-C4'-P energy: -61.555
tors. eta vs tors. theta energy: -89.203
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: 4, replica: 7
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1157.846735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.846735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.326141 (E_RNA)
where:
Base-Base interactions energy: -824.486
where: short stacking energy: -362.363
Base-Backbone interact. energy: 0.696
local terms energy: -339.535891
where:
bonds (distance) C4'-P energy: -47.753
bonds (distance) P-C4' energy: -65.195
flat angles C4'-P-C4' energy: -77.531
flat angles P-C4'-P energy: -44.382
tors. eta vs tors. theta energy: -104.676
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: 5, replica: 5
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1019.131975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.131975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.796890 (E_RNA)
where:
Base-Base interactions energy: -701.417
where: short stacking energy: -278.053
Base-Backbone interact. energy: -2.226
local terms energy: -321.153548
where:
bonds (distance) C4'-P energy: -74.251
bonds (distance) P-C4' energy: -72.857
flat angles C4'-P-C4' energy: -52.243
flat angles P-C4'-P energy: -42.195
tors. eta vs tors. theta energy: -79.608
Dist. restrs. and SS energy: 5.665 (S_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: 459
Temperature: 1.150000
Total energy: -1024.784897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.784897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.342136 (E_RNA)
where:
Base-Base interactions energy: -704.618
where: short stacking energy: -287.489
Base-Backbone interact. energy: 1.323
local terms energy: -322.047494
where:
bonds (distance) C4'-P energy: -60.422
bonds (distance) P-C4' energy: -65.477
flat angles C4'-P-C4' energy: -74.711
flat angles P-C4'-P energy: -45.830
tors. eta vs tors. theta energy: -75.608
Dist. restrs. and SS energy: 0.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1030.280470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.280470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.073311 (E_RNA)
where:
Base-Base interactions energy: -721.578
where: short stacking energy: -287.215
Base-Backbone interact. energy: -2.616
local terms energy: -312.879420
where:
bonds (distance) C4'-P energy: -70.558
bonds (distance) P-C4' energy: -56.499
flat angles C4'-P-C4' energy: -61.833
flat angles P-C4'-P energy: -44.659
tors. eta vs tors. theta energy: -79.330
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: 8, replica: 10
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -906.050225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.050225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.204050 (E_RNA)
where:
Base-Base interactions energy: -654.205
where: short stacking energy: -254.606
Base-Backbone interact. energy: 0.118
local terms energy: -256.116620
where:
bonds (distance) C4'-P energy: -52.442
bonds (distance) P-C4' energy: -62.349
flat angles C4'-P-C4' energy: -52.031
flat angles P-C4'-P energy: -24.549
tors. eta vs tors. theta energy: -64.745
Dist. restrs. and SS energy: 4.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -921.978146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.978146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.663337 (E_RNA)
where:
Base-Base interactions energy: -639.523
where: short stacking energy: -257.527
Base-Backbone interact. energy: -1.328
local terms energy: -285.811992
where:
bonds (distance) C4'-P energy: -56.031
bonds (distance) P-C4' energy: -58.473
flat angles C4'-P-C4' energy: -63.449
flat angles P-C4'-P energy: -42.517
tors. eta vs tors. theta energy: -65.342
Dist. restrs. and SS energy: 4.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -835.966647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.966647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.894589 (E_RNA)
where:
Base-Base interactions energy: -591.939
where: short stacking energy: -242.031
Base-Backbone interact. energy: 1.252
local terms energy: -251.206971
where:
bonds (distance) C4'-P energy: -56.444
bonds (distance) P-C4' energy: -44.793
flat angles C4'-P-C4' energy: -61.755
flat angles P-C4'-P energy: -31.469
tors. eta vs tors. theta energy: -56.746
Dist. restrs. and SS energy: 5.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1266.646932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.646932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.712510 (E_RNA)
where:
Base-Base interactions energy: -881.829
where: short stacking energy: -368.373
Base-Backbone interact. energy: -2.376
local terms energy: -385.507948
where:
bonds (distance) C4'-P energy: -72.220
bonds (distance) P-C4' energy: -66.524
flat angles C4'-P-C4' energy: -79.423
flat angles P-C4'-P energy: -58.833
tors. eta vs tors. theta energy: -108.507
Dist. restrs. and SS energy: 3.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1260.911631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.911631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.909658 (E_RNA)
where:
Base-Base interactions energy: -879.260
where: short stacking energy: -368.150
Base-Backbone interact. energy: -1.566
local terms energy: -383.083924
where:
bonds (distance) C4'-P energy: -68.863
bonds (distance) P-C4' energy: -65.086
flat angles C4'-P-C4' energy: -84.033
flat angles P-C4'-P energy: -54.051
tors. eta vs tors. theta energy: -111.052
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: 3, replica: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1173.008491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.008491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.387872 (E_RNA)
where:
Base-Base interactions energy: -796.063
where: short stacking energy: -325.300
Base-Backbone interact. energy: -0.776
local terms energy: -377.548940
where:
bonds (distance) C4'-P energy: -64.563
bonds (distance) P-C4' energy: -75.583
flat angles C4'-P-C4' energy: -87.325
flat angles P-C4'-P energy: -54.586
tors. eta vs tors. theta energy: -95.491
Dist. restrs. and SS energy: 1.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1116.386032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.386032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.456888 (E_RNA)
where:
Base-Base interactions energy: -753.368
where: short stacking energy: -332.199
Base-Backbone interact. energy: 3.332
local terms energy: -371.421044
where:
bonds (distance) C4'-P energy: -72.636
bonds (distance) P-C4' energy: -62.862
flat angles C4'-P-C4' energy: -78.963
flat angles P-C4'-P energy: -57.926
tors. eta vs tors. theta energy: -99.034
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: 5, replica: 5
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1080.394906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.394906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.865924 (E_RNA)
where:
Base-Base interactions energy: -748.072
where: short stacking energy: -296.852
Base-Backbone interact. energy: -2.446
local terms energy: -335.347601
where:
bonds (distance) C4'-P energy: -62.911
bonds (distance) P-C4' energy: -59.832
flat angles C4'-P-C4' energy: -73.403
flat angles P-C4'-P energy: -50.759
tors. eta vs tors. theta energy: -88.442
Dist. restrs. and SS energy: 5.471 (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: 1
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -990.322080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.322080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.171190 (E_RNA)
where:
Base-Base interactions energy: -710.821
where: short stacking energy: -289.129
Base-Backbone interact. energy: -0.479
local terms energy: -279.870493
where:
bonds (distance) C4'-P energy: -45.775
bonds (distance) P-C4' energy: -55.398
flat angles C4'-P-C4' energy: -66.601
flat angles P-C4'-P energy: -43.687
tors. eta vs tors. theta energy: -68.409
Dist. restrs. and SS energy: 0.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -979.205363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.205363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.205035 (E_RNA)
where:
Base-Base interactions energy: -675.940
where: short stacking energy: -279.044
Base-Backbone interact. energy: 0.862
local terms energy: -308.127691
where:
bonds (distance) C4'-P energy: -57.835
bonds (distance) P-C4' energy: -56.129
flat angles C4'-P-C4' energy: -75.156
flat angles P-C4'-P energy: -43.473
tors. eta vs tors. theta energy: -75.535
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: 8, replica: 10
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -917.265793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.265793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.563281 (E_RNA)
where:
Base-Base interactions energy: -634.682
where: short stacking energy: -246.700
Base-Backbone interact. energy: -1.171
local terms energy: -294.709612
where:
bonds (distance) C4'-P energy: -60.591
bonds (distance) P-C4' energy: -66.653
flat angles C4'-P-C4' energy: -59.988
flat angles P-C4'-P energy: -44.844
tors. eta vs tors. theta energy: -62.634
Dist. restrs. and SS energy: 13.297 (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: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -900.133912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.133912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.574354 (E_RNA)
where:
Base-Base interactions energy: -643.527
where: short stacking energy: -255.850
Base-Backbone interact. energy: -1.892
local terms energy: -261.155516
where:
bonds (distance) C4'-P energy: -52.387
bonds (distance) P-C4' energy: -57.650
flat angles C4'-P-C4' energy: -58.373
flat angles P-C4'-P energy: -34.196
tors. eta vs tors. theta energy: -58.549
Dist. restrs. and SS energy: 6.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -817.964513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.964513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.593674 (E_RNA)
where:
Base-Base interactions energy: -591.316
where: short stacking energy: -230.309
Base-Backbone interact. energy: 1.372
local terms energy: -238.649611
where:
bonds (distance) C4'-P energy: -53.004
bonds (distance) P-C4' energy: -58.434
flat angles C4'-P-C4' energy: -51.372
flat angles P-C4'-P energy: -36.138
tors. eta vs tors. theta energy: -39.702
Dist. restrs. and SS energy: 10.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1260.346519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.346519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.116532 (E_RNA)
where:
Base-Base interactions energy: -886.893
where: short stacking energy: -380.193
Base-Backbone interact. energy: -1.520
local terms energy: -375.703458
where:
bonds (distance) C4'-P energy: -64.816
bonds (distance) P-C4' energy: -68.983
flat angles C4'-P-C4' energy: -73.251
flat angles P-C4'-P energy: -61.005
tors. eta vs tors. theta energy: -107.649
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: 2, replica: 4
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1238.304917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.304917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.635245 (E_RNA)
where:
Base-Base interactions energy: -869.145
where: short stacking energy: -359.850
Base-Backbone interact. energy: 0.040
local terms energy: -372.530180
where:
bonds (distance) C4'-P energy: -58.021
bonds (distance) P-C4' energy: -72.404
flat angles C4'-P-C4' energy: -84.904
flat angles P-C4'-P energy: -52.804
tors. eta vs tors. theta energy: -104.397
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: 3, replica: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1193.133035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.133035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.356384 (E_RNA)
where:
Base-Base interactions energy: -815.545
where: short stacking energy: -339.486
Base-Backbone interact. energy: 0.205
local terms energy: -379.016414
where:
bonds (distance) C4'-P energy: -73.093
bonds (distance) P-C4' energy: -66.830
flat angles C4'-P-C4' energy: -83.387
flat angles P-C4'-P energy: -57.678
tors. eta vs tors. theta energy: -98.029
Dist. restrs. and SS energy: 1.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1108.742669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.742669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.973764 (E_RNA)
where:
Base-Base interactions energy: -802.364
where: short stacking energy: -306.085
Base-Backbone interact. energy: -3.715
local terms energy: -306.895318
where:
bonds (distance) C4'-P energy: -55.345
bonds (distance) P-C4' energy: -64.848
flat angles C4'-P-C4' energy: -70.160
flat angles P-C4'-P energy: -42.470
tors. eta vs tors. theta energy: -74.073
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: 5, replica: 5
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1076.847976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.847976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.697459 (E_RNA)
where:
Base-Base interactions energy: -746.360
where: short stacking energy: -303.033
Base-Backbone interact. energy: -1.420
local terms energy: -333.917770
where:
bonds (distance) C4'-P energy: -65.303
bonds (distance) P-C4' energy: -70.149
flat angles C4'-P-C4' energy: -77.637
flat angles P-C4'-P energy: -43.049
tors. eta vs tors. theta energy: -77.781
Dist. restrs. and SS energy: 4.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1016.286149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.286149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.307278 (E_RNA)
where:
Base-Base interactions energy: -710.399
where: short stacking energy: -289.428
Base-Backbone interact. energy: -1.242
local terms energy: -312.666049
where:
bonds (distance) C4'-P energy: -60.308
bonds (distance) P-C4' energy: -67.701
flat angles C4'-P-C4' energy: -64.032
flat angles P-C4'-P energy: -47.974
tors. eta vs tors. theta energy: -72.651
Dist. restrs. and SS energy: 8.021 (S_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: 461
Temperature: 1.200000
Total energy: -989.831900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.831900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.481969 (E_RNA)
where:
Base-Base interactions energy: -691.944
where: short stacking energy: -281.386
Base-Backbone interact. energy: -1.789
local terms energy: -296.749147
where:
bonds (distance) C4'-P energy: -54.857
bonds (distance) P-C4' energy: -62.786
flat angles C4'-P-C4' energy: -62.720
flat angles P-C4'-P energy: -48.478
tors. eta vs tors. theta energy: -67.908
Dist. restrs. and SS energy: 0.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -956.813159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.813159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.882365 (E_RNA)
where:
Base-Base interactions energy: -685.233
where: short stacking energy: -278.027
Base-Backbone interact. energy: 1.529
local terms energy: -284.178754
where:
bonds (distance) C4'-P energy: -58.829
bonds (distance) P-C4' energy: -66.955
flat angles C4'-P-C4' energy: -56.185
flat angles P-C4'-P energy: -33.535
tors. eta vs tors. theta energy: -68.676
Dist. restrs. and SS energy: 11.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -884.509943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.509943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.927586 (E_RNA)
where:
Base-Base interactions energy: -609.376
where: short stacking energy: -246.184
Base-Backbone interact. energy: -0.999
local terms energy: -278.552384
where:
bonds (distance) C4'-P energy: -59.504
bonds (distance) P-C4' energy: -63.695
flat angles C4'-P-C4' energy: -59.966
flat angles P-C4'-P energy: -37.215
tors. eta vs tors. theta energy: -58.173
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: 10, replica: 3
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -866.857830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.857830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.264037 (E_RNA)
where:
Base-Base interactions energy: -614.227
where: short stacking energy: -242.397
Base-Backbone interact. energy: 1.437
local terms energy: -262.474739
where:
bonds (distance) C4'-P energy: -51.041
bonds (distance) P-C4' energy: -50.213
flat angles C4'-P-C4' energy: -54.314
flat angles P-C4'-P energy: -42.645
tors. eta vs tors. theta energy: -64.261
Dist. restrs. and SS energy: 8.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1302.177865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.177865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.088364 (E_RNA)
where:
Base-Base interactions energy: -906.801
where: short stacking energy: -379.342
Base-Backbone interact. energy: -6.466
local terms energy: -391.821968
where:
bonds (distance) C4'-P energy: -65.612
bonds (distance) P-C4' energy: -75.520
flat angles C4'-P-C4' energy: -79.317
flat angles P-C4'-P energy: -62.216
tors. eta vs tors. theta energy: -109.157
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: 4
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1232.311349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.311349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.712860 (E_RNA)
where:
Base-Base interactions energy: -878.025
where: short stacking energy: -358.949
Base-Backbone interact. energy: -1.228
local terms energy: -356.460221
where:
bonds (distance) C4'-P energy: -60.429
bonds (distance) P-C4' energy: -57.754
flat angles C4'-P-C4' energy: -78.083
flat angles P-C4'-P energy: -50.739
tors. eta vs tors. theta energy: -109.454
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: 3, replica: 6
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1126.945048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.945048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.724515 (E_RNA)
where:
Base-Base interactions energy: -793.544
where: short stacking energy: -322.190
Base-Backbone interact. energy: -2.480
local terms energy: -332.700512
where:
bonds (distance) C4'-P energy: -66.959
bonds (distance) P-C4' energy: -63.085
flat angles C4'-P-C4' energy: -72.012
flat angles P-C4'-P energy: -38.871
tors. eta vs tors. theta energy: -91.774
Dist. restrs. and SS energy: 1.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1140.742642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.742642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.004344 (E_RNA)
where:
Base-Base interactions energy: -769.257
where: short stacking energy: -323.265
Base-Backbone interact. energy: -1.211
local terms energy: -372.535685
where:
bonds (distance) C4'-P energy: -66.085
bonds (distance) P-C4' energy: -77.512
flat angles C4'-P-C4' energy: -78.097
flat angles P-C4'-P energy: -50.492
tors. eta vs tors. theta energy: -100.348
Dist. restrs. and SS energy: 2.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1064.125654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.125654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.242830 (E_RNA)
where:
Base-Base interactions energy: -745.618
where: short stacking energy: -304.513
Base-Backbone interact. energy: -1.323
local terms energy: -321.301859
where:
bonds (distance) C4'-P energy: -56.969
bonds (distance) P-C4' energy: -62.770
flat angles C4'-P-C4' energy: -65.990
flat angles P-C4'-P energy: -53.991
tors. eta vs tors. theta energy: -81.582
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: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1037.822687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.822687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.561376 (E_RNA)
where:
Base-Base interactions energy: -710.111
where: short stacking energy: -295.582
Base-Backbone interact. energy: -1.108
local terms energy: -329.341509
where:
bonds (distance) C4'-P energy: -58.829
bonds (distance) P-C4' energy: -66.824
flat angles C4'-P-C4' energy: -72.799
flat angles P-C4'-P energy: -45.728
tors. eta vs tors. theta energy: -85.162
Dist. restrs. and SS energy: 2.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -992.722516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.722516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.317646 (E_RNA)
where:
Base-Base interactions energy: -698.215
where: short stacking energy: -277.365
Base-Backbone interact. energy: -1.530
local terms energy: -293.573141
where:
bonds (distance) C4'-P energy: -66.373
bonds (distance) P-C4' energy: -56.176
flat angles C4'-P-C4' energy: -66.094
flat angles P-C4'-P energy: -34.299
tors. eta vs tors. theta energy: -70.631
Dist. restrs. and SS energy: 0.595 (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: 10
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -972.065322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.065322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.172877 (E_RNA)
where:
Base-Base interactions energy: -683.027
where: short stacking energy: -277.465
Base-Backbone interact. energy: -1.917
local terms energy: -291.229274
where:
bonds (distance) C4'-P energy: -54.219
bonds (distance) P-C4' energy: -55.920
flat angles C4'-P-C4' energy: -65.643
flat angles P-C4'-P energy: -45.427
tors. eta vs tors. theta energy: -70.021
Dist. restrs. and SS energy: 4.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -912.888105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.888105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.687034 (E_RNA)
where:
Base-Base interactions energy: -654.326
where: short stacking energy: -253.932
Base-Backbone interact. energy: 0.132
local terms energy: -264.493138
where:
bonds (distance) C4'-P energy: -50.982
bonds (distance) P-C4' energy: -55.567
flat angles C4'-P-C4' energy: -69.156
flat angles P-C4'-P energy: -31.498
tors. eta vs tors. theta energy: -57.290
Dist. restrs. and SS energy: 5.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -806.450274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.450274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.175897 (E_RNA)
where:
Base-Base interactions energy: -561.461
where: short stacking energy: -221.136
Base-Backbone interact. energy: -0.214
local terms energy: -256.500582
where:
bonds (distance) C4'-P energy: -46.154
bonds (distance) P-C4' energy: -61.965
flat angles C4'-P-C4' energy: -65.549
flat angles P-C4'-P energy: -32.986
tors. eta vs tors. theta energy: -49.846
Dist. restrs. and SS energy: 11.726 (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: 9
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1262.389905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.389905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.315610 (E_RNA)
where:
Base-Base interactions energy: -888.454
where: short stacking energy: -372.994
Base-Backbone interact. energy: -2.278
local terms energy: -375.583721
where:
bonds (distance) C4'-P energy: -71.892
bonds (distance) P-C4' energy: -70.220
flat angles C4'-P-C4' energy: -78.798
flat angles P-C4'-P energy: -55.444
tors. eta vs tors. theta energy: -99.230
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: 2, replica: 4
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1235.695574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.695574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.816983 (E_RNA)
where:
Base-Base interactions energy: -878.732
where: short stacking energy: -368.030
Base-Backbone interact. energy: -1.816
local terms energy: -358.268999
where:
bonds (distance) C4'-P energy: -59.072
bonds (distance) P-C4' energy: -71.917
flat angles C4'-P-C4' energy: -75.403
flat angles P-C4'-P energy: -50.846
tors. eta vs tors. theta energy: -101.030
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: 6
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1163.958824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.958824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.952931 (E_RNA)
where:
Base-Base interactions energy: -804.696
where: short stacking energy: -316.274
Base-Backbone interact. energy: -4.125
local terms energy: -356.131604
where:
bonds (distance) C4'-P energy: -69.385
bonds (distance) P-C4' energy: -67.132
flat angles C4'-P-C4' energy: -78.487
flat angles P-C4'-P energy: -52.699
tors. eta vs tors. theta energy: -88.429
Dist. restrs. and SS energy: 0.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1159.387833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.387833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.259537 (E_RNA)
where:
Base-Base interactions energy: -810.862
where: short stacking energy: -338.952
Base-Backbone interact. energy: -0.493
local terms energy: -350.904723
where:
bonds (distance) C4'-P energy: -63.583
bonds (distance) P-C4' energy: -68.118
flat angles C4'-P-C4' energy: -76.279
flat angles P-C4'-P energy: -40.814
tors. eta vs tors. theta energy: -102.110
Dist. restrs. and SS energy: 2.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1058.503862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.503862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.763272 (E_RNA)
where:
Base-Base interactions energy: -754.504
where: short stacking energy: -293.653
Base-Backbone interact. energy: -0.749
local terms energy: -306.509554
where:
bonds (distance) C4'-P energy: -60.393
bonds (distance) P-C4' energy: -55.139
flat angles C4'-P-C4' energy: -75.228
flat angles P-C4'-P energy: -36.114
tors. eta vs tors. theta energy: -79.635
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: 6, replica: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1047.806138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.806138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.957503 (E_RNA)
where:
Base-Base interactions energy: -737.030
where: short stacking energy: -282.870
Base-Backbone interact. energy: -1.588
local terms energy: -311.339605
where:
bonds (distance) C4'-P energy: -50.953
bonds (distance) P-C4' energy: -64.138
flat angles C4'-P-C4' energy: -71.945
flat angles P-C4'-P energy: -43.033
tors. eta vs tors. theta energy: -81.270
Dist. restrs. and SS energy: 2.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -962.803015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.803015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.715070 (E_RNA)
where:
Base-Base interactions energy: -678.908
where: short stacking energy: -270.866
Base-Backbone interact. energy: 2.391
local terms energy: -290.198503
where:
bonds (distance) C4'-P energy: -59.612
bonds (distance) P-C4' energy: -64.167
flat angles C4'-P-C4' energy: -57.625
flat angles P-C4'-P energy: -48.053
tors. eta vs tors. theta energy: -60.742
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: 8, replica: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -947.343706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.343706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.723462 (E_RNA)
where:
Base-Base interactions energy: -671.360
where: short stacking energy: -276.592
Base-Backbone interact. energy: -1.916
local terms energy: -275.446815
where:
bonds (distance) C4'-P energy: -49.948
bonds (distance) P-C4' energy: -57.146
flat angles C4'-P-C4' energy: -53.447
flat angles P-C4'-P energy: -41.290
tors. eta vs tors. theta energy: -73.616
Dist. restrs. and SS energy: 1.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -919.367777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.367777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.286158 (E_RNA)
where:
Base-Base interactions energy: -657.194
where: short stacking energy: -240.607
Base-Backbone interact. energy: -1.919
local terms energy: -266.173060
where:
bonds (distance) C4'-P energy: -53.585
bonds (distance) P-C4' energy: -60.637
flat angles C4'-P-C4' energy: -53.853
flat angles P-C4'-P energy: -39.298
tors. eta vs tors. theta energy: -58.800
Dist. restrs. and SS energy: 5.918 (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: 463
Temperature: 1.350000
Total energy: -858.364917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.364917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.962789 (E_RNA)
where:
Base-Base interactions energy: -603.945
where: short stacking energy: -226.377
Base-Backbone interact. energy: -2.091
local terms energy: -257.927137
where:
bonds (distance) C4'-P energy: -61.317
bonds (distance) P-C4' energy: -59.012
flat angles C4'-P-C4' energy: -47.239
flat angles P-C4'-P energy: -38.452
tors. eta vs tors. theta energy: -51.906
Dist. restrs. and SS energy: 5.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1274.710574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.710574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.252688 (E_RNA)
where:
Base-Base interactions energy: -882.198
where: short stacking energy: -358.174
Base-Backbone interact. energy: -4.665
local terms energy: -391.389822
where:
bonds (distance) C4'-P energy: -76.872
bonds (distance) P-C4' energy: -66.266
flat angles C4'-P-C4' energy: -86.437
flat angles P-C4'-P energy: -59.328
tors. eta vs tors. theta energy: -102.486
Dist. restrs. and SS energy: 3.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1237.146023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.146023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.448429 (E_RNA)
where:
Base-Base interactions energy: -853.170
where: short stacking energy: -348.703
Base-Backbone interact. energy: -1.618
local terms energy: -386.659954
where:
bonds (distance) C4'-P energy: -71.060
bonds (distance) P-C4' energy: -72.493
flat angles C4'-P-C4' energy: -80.561
flat angles P-C4'-P energy: -55.325
tors. eta vs tors. theta energy: -107.221
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: 3, replica: 7
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1176.536370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.536370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.572072 (E_RNA)
where:
Base-Base interactions energy: -809.418
where: short stacking energy: -327.110
Base-Backbone interact. energy: -0.695
local terms energy: -367.458344
where:
bonds (distance) C4'-P energy: -75.666
bonds (distance) P-C4' energy: -59.720
flat angles C4'-P-C4' energy: -76.953
flat angles P-C4'-P energy: -53.742
tors. eta vs tors. theta energy: -101.377
Dist. restrs. and SS energy: 1.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 464
Temperature: 1.050000
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: -1163.665769 (E_RNA)
where:
Base-Base interactions energy: -806.815
where: short stacking energy: -339.673
Base-Backbone interact. energy: 0.610
local terms energy: -357.459865
where:
bonds (distance) C4'-P energy: -63.162
bonds (distance) P-C4' energy: -51.053
flat angles C4'-P-C4' energy: -82.950
flat angles P-C4'-P energy: -54.973
tors. eta vs tors. theta energy: -105.323
Dist. restrs. and SS energy: 4.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1058.137294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.137294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.617009 (E_RNA)
where:
Base-Base interactions energy: -725.262
where: short stacking energy: -305.511
Base-Backbone interact. energy: 0.178
local terms energy: -337.533294
where:
bonds (distance) C4'-P energy: -70.771
bonds (distance) P-C4' energy: -71.632
flat angles C4'-P-C4' energy: -62.518
flat angles P-C4'-P energy: -46.836
tors. eta vs tors. theta energy: -85.775
Dist. restrs. and SS energy: 4.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1025.753479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.753479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.986649 (E_RNA)
where:
Base-Base interactions energy: -713.332
where: short stacking energy: -283.213
Base-Backbone interact. energy: -1.741
local terms energy: -315.913503
where:
bonds (distance) C4'-P energy: -59.690
bonds (distance) P-C4' energy: -62.675
flat angles C4'-P-C4' energy: -70.995
flat angles P-C4'-P energy: -46.717
tors. eta vs tors. theta energy: -75.837
Dist. restrs. and SS energy: 5.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -975.492807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.492807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.322731 (E_RNA)
where:
Base-Base interactions energy: -675.378
where: short stacking energy: -261.762
Base-Backbone interact. energy: -0.930
local terms energy: -300.014954
where:
bonds (distance) C4'-P energy: -52.656
bonds (distance) P-C4' energy: -73.596
flat angles C4'-P-C4' energy: -68.191
flat angles P-C4'-P energy: -37.994
tors. eta vs tors. theta energy: -67.578
Dist. restrs. and SS energy: 0.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -933.925982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.925982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.704342 (E_RNA)
where:
Base-Base interactions energy: -657.738
where: short stacking energy: -263.796
Base-Backbone interact. energy: 0.613
local terms energy: -280.579235
where:
bonds (distance) C4'-P energy: -54.339
bonds (distance) P-C4' energy: -55.780
flat angles C4'-P-C4' energy: -69.543
flat angles P-C4'-P energy: -39.268
tors. eta vs tors. theta energy: -61.649
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: 9, replica: 10
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -867.550398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.550398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.172875 (E_RNA)
where:
Base-Base interactions energy: -615.797
where: short stacking energy: -242.344
Base-Backbone interact. energy: 0.142
local terms energy: -260.517589
where:
bonds (distance) C4'-P energy: -55.540
bonds (distance) P-C4' energy: -56.767
flat angles C4'-P-C4' energy: -55.415
flat angles P-C4'-P energy: -44.998
tors. eta vs tors. theta energy: -47.797
Dist. restrs. and SS energy: 8.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -817.675084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.675084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.412116 (E_RNA)
where:
Base-Base interactions energy: -566.823
where: short stacking energy: -215.204
Base-Backbone interact. energy: -1.486
local terms energy: -256.102615
where:
bonds (distance) C4'-P energy: -56.029
bonds (distance) P-C4' energy: -53.354
flat angles C4'-P-C4' energy: -59.866
flat angles P-C4'-P energy: -37.570
tors. eta vs tors. theta energy: -49.285
Dist. restrs. and SS energy: 6.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1272.301539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.301539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.757279 (E_RNA)
where:
Base-Base interactions energy: -895.273
where: short stacking energy: -370.991
Base-Backbone interact. energy: -0.225
local terms energy: -381.259409
where:
bonds (distance) C4'-P energy: -67.092
bonds (distance) P-C4' energy: -72.174
flat angles C4'-P-C4' energy: -75.845
flat angles P-C4'-P energy: -56.779
tors. eta vs tors. theta energy: -109.369
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: 2, replica: 4
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1242.696418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.696418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.156567 (E_RNA)
where:
Base-Base interactions energy: -858.568
where: short stacking energy: -359.786
Base-Backbone interact. energy: -2.588
local terms energy: -385.000809
where:
bonds (distance) C4'-P energy: -72.871
bonds (distance) P-C4' energy: -66.527
flat angles C4'-P-C4' energy: -81.898
flat angles P-C4'-P energy: -59.014
tors. eta vs tors. theta energy: -104.691
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: 3, replica: 7
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1175.523601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.523601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.539576 (E_RNA)
where:
Base-Base interactions energy: -808.419
where: short stacking energy: -337.757
Base-Backbone interact. energy: -2.808
local terms energy: -365.313282
where:
bonds (distance) C4'-P energy: -68.491
bonds (distance) P-C4' energy: -67.087
flat angles C4'-P-C4' energy: -72.733
flat angles P-C4'-P energy: -55.522
tors. eta vs tors. theta energy: -101.480
Dist. restrs. and SS energy: 1.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1135.969542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.969542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.172008 (E_RNA)
where:
Base-Base interactions energy: -796.508
where: short stacking energy: -330.275
Base-Backbone interact. energy: -0.768
local terms energy: -342.895256
where:
bonds (distance) C4'-P energy: -66.807
bonds (distance) P-C4' energy: -64.232
flat angles C4'-P-C4' energy: -78.643
flat angles P-C4'-P energy: -38.891
tors. eta vs tors. theta energy: -94.322
Dist. restrs. and SS energy: 4.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1062.152143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.152143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.235501 (E_RNA)
where:
Base-Base interactions energy: -766.784
where: short stacking energy: -304.933
Base-Backbone interact. energy: 3.016
local terms energy: -301.466674
where:
bonds (distance) C4'-P energy: -59.879
bonds (distance) P-C4' energy: -63.843
flat angles C4'-P-C4' energy: -66.411
flat angles P-C4'-P energy: -36.231
tors. eta vs tors. theta energy: -75.103
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: 6, replica: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1054.397844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.397844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.534947 (E_RNA)
where:
Base-Base interactions energy: -734.629
where: short stacking energy: -282.033
Base-Backbone interact. energy: -1.983
local terms energy: -320.923247
where:
bonds (distance) C4'-P energy: -51.863
bonds (distance) P-C4' energy: -73.123
flat angles C4'-P-C4' energy: -67.673
flat angles P-C4'-P energy: -44.056
tors. eta vs tors. theta energy: -84.208
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: 7, replica: 8
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -951.677221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.677221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.239968 (E_RNA)
where:
Base-Base interactions energy: -652.070
where: short stacking energy: -253.801
Base-Backbone interact. energy: 1.044
local terms energy: -303.214376
where:
bonds (distance) C4'-P energy: -61.531
bonds (distance) P-C4' energy: -51.587
flat angles C4'-P-C4' energy: -75.313
flat angles P-C4'-P energy: -53.032
tors. eta vs tors. theta energy: -61.751
Dist. restrs. and SS energy: 2.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -910.478694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.478694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.353533 (E_RNA)
where:
Base-Base interactions energy: -646.767
where: short stacking energy: -241.973
Base-Backbone interact. energy: 4.766
local terms energy: -273.351677
where:
bonds (distance) C4'-P energy: -58.998
bonds (distance) P-C4' energy: -63.263
flat angles C4'-P-C4' energy: -63.744
flat angles P-C4'-P energy: -39.493
tors. eta vs tors. theta energy: -47.854
Dist. restrs. and SS energy: 4.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -857.211652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.211652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.894661 (E_RNA)
where:
Base-Base interactions energy: -624.958
where: short stacking energy: -259.695
Base-Backbone interact. energy: 0.874
local terms energy: -238.810305
where:
bonds (distance) C4'-P energy: -53.543
bonds (distance) P-C4' energy: -52.152
flat angles C4'-P-C4' energy: -49.673
flat angles P-C4'-P energy: -31.104
tors. eta vs tors. theta energy: -52.338
Dist. restrs. and SS energy: 5.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -861.789858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.789858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.137688 (E_RNA)
where:
Base-Base interactions energy: -590.382
where: short stacking energy: -243.949
Base-Backbone interact. energy: -1.875
local terms energy: -275.881544
where:
bonds (distance) C4'-P energy: -55.791
bonds (distance) P-C4' energy: -52.599
flat angles C4'-P-C4' energy: -63.168
flat angles P-C4'-P energy: -42.702
tors. eta vs tors. theta energy: -61.621
Dist. restrs. and SS energy: 6.348 (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: 9
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1267.042379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.042379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.842169 (E_RNA)
where:
Base-Base interactions energy: -889.650
where: short stacking energy: -370.759
Base-Backbone interact. energy: -2.827
local terms energy: -378.364904
where:
bonds (distance) C4'-P energy: -59.907
bonds (distance) P-C4' energy: -72.414
flat angles C4'-P-C4' energy: -75.184
flat angles P-C4'-P energy: -59.348
tors. eta vs tors. theta energy: -111.511
Dist. restrs. and SS energy: 3.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1220.667913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.667913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.663380 (E_RNA)
where:
Base-Base interactions energy: -851.010
where: short stacking energy: -368.577
Base-Backbone interact. energy: 0.709
local terms energy: -374.362272
where:
bonds (distance) C4'-P energy: -67.368
bonds (distance) P-C4' energy: -66.626
flat angles C4'-P-C4' energy: -81.938
flat angles P-C4'-P energy: -50.746
tors. eta vs tors. theta energy: -107.683
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: 3, replica: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1180.586263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.586263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.727201 (E_RNA)
where:
Base-Base interactions energy: -815.628
where: short stacking energy: -345.507
Base-Backbone interact. energy: -2.484
local terms energy: -363.615910
where:
bonds (distance) C4'-P energy: -63.485
bonds (distance) P-C4' energy: -68.580
flat angles C4'-P-C4' energy: -71.043
flat angles P-C4'-P energy: -48.774
tors. eta vs tors. theta energy: -111.734
Dist. restrs. and SS energy: 1.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1119.690074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.690074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.070708 (E_RNA)
where:
Base-Base interactions energy: -800.087
where: short stacking energy: -326.239
Base-Backbone interact. energy: -3.137
local terms energy: -320.846223
where:
bonds (distance) C4'-P energy: -54.753
bonds (distance) P-C4' energy: -63.774
flat angles C4'-P-C4' energy: -70.512
flat angles P-C4'-P energy: -43.241
tors. eta vs tors. theta energy: -88.566
Dist. restrs. and SS energy: 4.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1106.349097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.349097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.913336 (E_RNA)
where:
Base-Base interactions energy: -780.118
where: short stacking energy: -322.456
Base-Backbone interact. energy: 0.302
local terms energy: -330.097220
where:
bonds (distance) C4'-P energy: -53.723
bonds (distance) P-C4' energy: -59.247
flat angles C4'-P-C4' energy: -72.747
flat angles P-C4'-P energy: -49.462
tors. eta vs tors. theta energy: -94.919
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: 6, replica: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1025.422743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.422743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.655553 (E_RNA)
where:
Base-Base interactions energy: -709.713
where: short stacking energy: -287.271
Base-Backbone interact. energy: 0.539
local terms energy: -322.481504
where:
bonds (distance) C4'-P energy: -69.264
bonds (distance) P-C4' energy: -65.807
flat angles C4'-P-C4' energy: -68.404
flat angles P-C4'-P energy: -42.154
tors. eta vs tors. theta energy: -76.851
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: 7, replica: 8
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -955.861369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.861369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.727481 (E_RNA)
where:
Base-Base interactions energy: -683.145
where: short stacking energy: -268.510
Base-Backbone interact. energy: -2.403
local terms energy: -279.179805
where:
bonds (distance) C4'-P energy: -53.394
bonds (distance) P-C4' energy: -56.091
flat angles C4'-P-C4' energy: -58.604
flat angles P-C4'-P energy: -53.991
tors. eta vs tors. theta energy: -57.100
Dist. restrs. and SS energy: 8.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -940.991132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.991132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.056325 (E_RNA)
where:
Base-Base interactions energy: -671.702
where: short stacking energy: -267.473
Base-Backbone interact. energy: -1.350
local terms energy: -270.004371
where:
bonds (distance) C4'-P energy: -47.337
bonds (distance) P-C4' energy: -56.604
flat angles C4'-P-C4' energy: -53.673
flat angles P-C4'-P energy: -48.906
tors. eta vs tors. theta energy: -63.485
Dist. restrs. and SS energy: 2.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -827.455196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.455196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.046373 (E_RNA)
where:
Base-Base interactions energy: -577.714
where: short stacking energy: -228.186
Base-Backbone interact. energy: 0.793
local terms energy: -258.125904
where:
bonds (distance) C4'-P energy: -49.910
bonds (distance) P-C4' energy: -54.395
flat angles C4'-P-C4' energy: -59.705
flat angles P-C4'-P energy: -45.650
tors. eta vs tors. theta energy: -48.466
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: 3
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -827.825210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.825210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.241018 (E_RNA)
where:
Base-Base interactions energy: -574.268
where: short stacking energy: -228.052
Base-Backbone interact. energy: 0.680
local terms energy: -261.652764
where:
bonds (distance) C4'-P energy: -52.650
bonds (distance) P-C4' energy: -49.532
flat angles C4'-P-C4' energy: -61.660
flat angles P-C4'-P energy: -40.465
tors. eta vs tors. theta energy: -57.346
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: 9
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1268.117170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.117170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.400277 (E_RNA)
where:
Base-Base interactions energy: -883.063
where: short stacking energy: -382.443
Base-Backbone interact. energy: 0.573
local terms energy: -388.909472
where:
bonds (distance) C4'-P energy: -69.465
bonds (distance) P-C4' energy: -72.280
flat angles C4'-P-C4' energy: -82.044
flat angles P-C4'-P energy: -51.139
tors. eta vs tors. theta energy: -113.982
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: 7
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1215.149909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.149909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.996604 (E_RNA)
where:
Base-Base interactions energy: -830.915
where: short stacking energy: -344.212
Base-Backbone interact. energy: -0.581
local terms energy: -384.500075
where:
bonds (distance) C4'-P energy: -64.369
bonds (distance) P-C4' energy: -75.981
flat angles C4'-P-C4' energy: -82.608
flat angles P-C4'-P energy: -55.745
tors. eta vs tors. theta energy: -105.796
Dist. restrs. and SS energy: 0.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1207.173001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.173001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.700288 (E_RNA)
where:
Base-Base interactions energy: -848.111
where: short stacking energy: -342.792
Base-Backbone interact. energy: -2.132
local terms energy: -359.456728
where:
bonds (distance) C4'-P energy: -69.909
bonds (distance) P-C4' energy: -67.766
flat angles C4'-P-C4' energy: -76.937
flat angles P-C4'-P energy: -46.841
tors. eta vs tors. theta energy: -98.004
Dist. restrs. and SS energy: 2.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1108.449627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.449627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.290820 (E_RNA)
where:
Base-Base interactions energy: -765.763
where: short stacking energy: -320.917
Base-Backbone interact. energy: 1.294
local terms energy: -347.822035
where:
bonds (distance) C4'-P energy: -59.325
bonds (distance) P-C4' energy: -65.393
flat angles C4'-P-C4' energy: -68.388
flat angles P-C4'-P energy: -54.125
tors. eta vs tors. theta energy: -100.591
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: 6
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1109.407797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.407797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.237647 (E_RNA)
where:
Base-Base interactions energy: -762.281
where: short stacking energy: -312.597
Base-Backbone interact. energy: -2.957
local terms energy: -349.999960
where:
bonds (distance) C4'-P energy: -58.536
bonds (distance) P-C4' energy: -69.829
flat angles C4'-P-C4' energy: -72.427
flat angles P-C4'-P energy: -55.090
tors. eta vs tors. theta energy: -94.118
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: 6, replica: 5
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1024.314775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.314775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.256925 (E_RNA)
where:
Base-Base interactions energy: -734.417
where: short stacking energy: -301.330
Base-Backbone interact. energy: -0.283
local terms energy: -292.556272
where:
bonds (distance) C4'-P energy: -47.653
bonds (distance) P-C4' energy: -47.917
flat angles C4'-P-C4' energy: -66.249
flat angles P-C4'-P energy: -54.755
tors. eta vs tors. theta energy: -75.983
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: 467
Temperature: 1.200000
Total energy: -1007.259645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.259645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.723128 (E_RNA)
where:
Base-Base interactions energy: -707.037
where: short stacking energy: -289.828
Base-Backbone interact. energy: 0.994
local terms energy: -309.679493
where:
bonds (distance) C4'-P energy: -58.260
bonds (distance) P-C4' energy: -63.341
flat angles C4'-P-C4' energy: -67.485
flat angles P-C4'-P energy: -48.716
tors. eta vs tors. theta energy: -71.877
Dist. restrs. and SS energy: 8.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -917.686026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.686026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.575826 (E_RNA)
where:
Base-Base interactions energy: -647.636
where: short stacking energy: -255.817
Base-Backbone interact. energy: -1.298
local terms energy: -272.641631
where:
bonds (distance) C4'-P energy: -41.671
bonds (distance) P-C4' energy: -68.167
flat angles C4'-P-C4' energy: -58.379
flat angles P-C4'-P energy: -34.960
tors. eta vs tors. theta energy: -69.465
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: 10
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -868.599189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.599189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.144288 (E_RNA)
where:
Base-Base interactions energy: -593.009
where: short stacking energy: -216.370
Base-Backbone interact. energy: -2.056
local terms energy: -280.079114
where:
bonds (distance) C4'-P energy: -58.975
bonds (distance) P-C4' energy: -60.580
flat angles C4'-P-C4' energy: -65.382
flat angles P-C4'-P energy: -45.449
tors. eta vs tors. theta energy: -49.694
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: 10, replica: 3
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -828.813553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.813553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.183876 (E_RNA)
where:
Base-Base interactions energy: -573.827
where: short stacking energy: -218.709
Base-Backbone interact. energy: -1.099
local terms energy: -258.258758
where:
bonds (distance) C4'-P energy: -62.107
bonds (distance) P-C4' energy: -50.569
flat angles C4'-P-C4' energy: -58.042
flat angles P-C4'-P energy: -38.978
tors. eta vs tors. theta energy: -48.562
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: 1, replica: 9
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1273.821690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.821690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.578914 (E_RNA)
where:
Base-Base interactions energy: -871.337
where: short stacking energy: -376.815
Base-Backbone interact. energy: -2.904
local terms energy: -403.338385
where:
bonds (distance) C4'-P energy: -66.802
bonds (distance) P-C4' energy: -76.088
flat angles C4'-P-C4' energy: -90.323
flat angles P-C4'-P energy: -57.904
tors. eta vs tors. theta energy: -112.222
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: 2, replica: 7
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1217.695582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.695582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.201168 (E_RNA)
where:
Base-Base interactions energy: -845.874
where: short stacking energy: -357.190
Base-Backbone interact. energy: -2.279
local terms energy: -371.048484
where:
bonds (distance) C4'-P energy: -62.694
bonds (distance) P-C4' energy: -63.742
flat angles C4'-P-C4' energy: -77.427
flat angles P-C4'-P energy: -55.299
tors. eta vs tors. theta energy: -111.887
Dist. restrs. and SS energy: 1.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1206.469448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.469448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.372230 (E_RNA)
where:
Base-Base interactions energy: -844.295
where: short stacking energy: -341.465
Base-Backbone interact. energy: 0.355
local terms energy: -366.432779
where:
bonds (distance) C4'-P energy: -60.997
bonds (distance) P-C4' energy: -78.491
flat angles C4'-P-C4' energy: -72.093
flat angles P-C4'-P energy: -54.412
tors. eta vs tors. theta energy: -100.439
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: 4, replica: 2
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1110.207354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.207354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.210355 (E_RNA)
where:
Base-Base interactions energy: -759.860
where: short stacking energy: -329.226
Base-Backbone interact. energy: -4.891
local terms energy: -348.459046
where:
bonds (distance) C4'-P energy: -66.258
bonds (distance) P-C4' energy: -66.951
flat angles C4'-P-C4' energy: -67.695
flat angles P-C4'-P energy: -54.087
tors. eta vs tors. theta energy: -93.467
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: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1094.990587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.990587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.721831 (E_RNA)
where:
Base-Base interactions energy: -774.743
where: short stacking energy: -319.856
Base-Backbone interact. energy: -1.075
local terms energy: -322.903550
where:
bonds (distance) C4'-P energy: -62.587
bonds (distance) P-C4' energy: -61.478
flat angles C4'-P-C4' energy: -63.064
flat angles P-C4'-P energy: -42.834
tors. eta vs tors. theta energy: -92.941
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: 6, replica: 5
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1011.868356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.868356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.388673 (E_RNA)
where:
Base-Base interactions energy: -693.778
where: short stacking energy: -265.649
Base-Backbone interact. energy: -2.854
local terms energy: -319.756583
where:
bonds (distance) C4'-P energy: -67.405
bonds (distance) P-C4' energy: -59.719
flat angles C4'-P-C4' energy: -73.374
flat angles P-C4'-P energy: -42.787
tors. eta vs tors. theta energy: -76.472
Dist. restrs. and SS energy: 4.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -954.759257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.759257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.247837 (E_RNA)
where:
Base-Base interactions energy: -656.425
where: short stacking energy: -266.082
Base-Backbone interact. energy: -1.637
local terms energy: -302.186521
where:
bonds (distance) C4'-P energy: -52.984
bonds (distance) P-C4' energy: -56.651
flat angles C4'-P-C4' energy: -75.527
flat angles P-C4'-P energy: -50.026
tors. eta vs tors. theta energy: -66.998
Dist. restrs. and SS energy: 5.489 (S_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: 468
Temperature: 1.250000
Total energy: -934.744801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.744801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.369117 (E_RNA)
where:
Base-Base interactions energy: -669.650
where: short stacking energy: -268.595
Base-Backbone interact. energy: 0.081
local terms energy: -269.799795
where:
bonds (distance) C4'-P energy: -50.424
bonds (distance) P-C4' energy: -48.950
flat angles C4'-P-C4' energy: -60.150
flat angles P-C4'-P energy: -46.407
tors. eta vs tors. theta energy: -63.869
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: 9, replica: 3
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -883.636609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.636609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.784600 (E_RNA)
where:
Base-Base interactions energy: -628.850
where: short stacking energy: -256.289
Base-Backbone interact. energy: -0.920
local terms energy: -260.014637
where:
bonds (distance) C4'-P energy: -49.452
bonds (distance) P-C4' energy: -51.459
flat angles C4'-P-C4' energy: -63.795
flat angles P-C4'-P energy: -32.911
tors. eta vs tors. theta energy: -62.397
Dist. restrs. and SS energy: 6.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -861.105173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.105173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.956842 (E_RNA)
where:
Base-Base interactions energy: -598.804
where: short stacking energy: -242.448
Base-Backbone interact. energy: 0.902
local terms energy: -268.054979
where:
bonds (distance) C4'-P energy: -55.238
bonds (distance) P-C4' energy: -63.186
flat angles C4'-P-C4' energy: -61.675
flat angles P-C4'-P energy: -40.698
tors. eta vs tors. theta energy: -47.258
Dist. restrs. and SS energy: 4.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1270.701494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.701494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.310366 (E_RNA)
where:
Base-Base interactions energy: -875.019
where: short stacking energy: -376.974
Base-Backbone interact. energy: -2.722
local terms energy: -397.569397
where:
bonds (distance) C4'-P energy: -68.821
bonds (distance) P-C4' energy: -74.362
flat angles C4'-P-C4' energy: -84.309
flat angles P-C4'-P energy: -58.735
tors. eta vs tors. theta energy: -111.343
Dist. restrs. and SS energy: 4.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1234.849470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.849470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.390926 (E_RNA)
where:
Base-Base interactions energy: -872.043
where: short stacking energy: -352.900
Base-Backbone interact. energy: -2.166
local terms energy: -364.181636
where:
bonds (distance) C4'-P energy: -60.532
bonds (distance) P-C4' energy: -69.271
flat angles C4'-P-C4' energy: -77.210
flat angles P-C4'-P energy: -50.663
tors. eta vs tors. theta energy: -106.505
Dist. restrs. and SS energy: 3.541 (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: 7
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1190.936932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.936932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.671115 (E_RNA)
where:
Base-Base interactions energy: -826.893
where: short stacking energy: -351.973
Base-Backbone interact. energy: -1.415
local terms energy: -366.362939
where:
bonds (distance) C4'-P energy: -52.625
bonds (distance) P-C4' energy: -67.351
flat angles C4'-P-C4' energy: -87.542
flat angles P-C4'-P energy: -56.132
tors. eta vs tors. theta energy: -102.713
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: 6
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1119.108512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.108512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.734521 (E_RNA)
where:
Base-Base interactions energy: -770.176
where: short stacking energy: -313.983
Base-Backbone interact. energy: -4.183
local terms energy: -349.375305
where:
bonds (distance) C4'-P energy: -62.328
bonds (distance) P-C4' energy: -76.321
flat angles C4'-P-C4' energy: -73.753
flat angles P-C4'-P energy: -49.619
tors. eta vs tors. theta energy: -87.355
Dist. restrs. and SS energy: 4.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1092.105141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.105141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.806671 (E_RNA)
where:
Base-Base interactions energy: -759.875
where: short stacking energy: -321.500
Base-Backbone interact. energy: -1.817
local terms energy: -334.115147
where:
bonds (distance) C4'-P energy: -59.935
bonds (distance) P-C4' energy: -62.381
flat angles C4'-P-C4' energy: -78.021
flat angles P-C4'-P energy: -44.508
tors. eta vs tors. theta energy: -89.271
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: 6, replica: 8
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1011.298132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.298132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.731368 (E_RNA)
where:
Base-Base interactions energy: -705.407
where: short stacking energy: -270.113
Base-Backbone interact. energy: -2.276
local terms energy: -306.047943
where:
bonds (distance) C4'-P energy: -70.925
bonds (distance) P-C4' energy: -63.683
flat angles C4'-P-C4' energy: -60.744
flat angles P-C4'-P energy: -44.043
tors. eta vs tors. theta energy: -66.653
Dist. restrs. and SS energy: 2.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -991.925215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.925215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.258686 (E_RNA)
where:
Base-Base interactions energy: -721.490
where: short stacking energy: -286.805
Base-Backbone interact. energy: -2.339
local terms energy: -273.430464
where:
bonds (distance) C4'-P energy: -52.685
bonds (distance) P-C4' energy: -59.574
flat angles C4'-P-C4' energy: -66.919
flat angles P-C4'-P energy: -23.197
tors. eta vs tors. theta energy: -71.056
Dist. restrs. and SS energy: 5.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -915.799221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.799221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.013594 (E_RNA)
where:
Base-Base interactions energy: -644.076
where: short stacking energy: -240.119
Base-Backbone interact. energy: 0.577
local terms energy: -275.515279
where:
bonds (distance) C4'-P energy: -52.080
bonds (distance) P-C4' energy: -56.713
flat angles C4'-P-C4' energy: -71.248
flat angles P-C4'-P energy: -42.949
tors. eta vs tors. theta energy: -52.525
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: 9, replica: 3
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -880.699414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.699414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.646711 (E_RNA)
where:
Base-Base interactions energy: -622.435
where: short stacking energy: -239.981
Base-Backbone interact. energy: -2.714
local terms energy: -258.498079
where:
bonds (distance) C4'-P energy: -47.802
bonds (distance) P-C4' energy: -57.876
flat angles C4'-P-C4' energy: -68.540
flat angles P-C4'-P energy: -31.845
tors. eta vs tors. theta energy: -52.435
Dist. restrs. and SS energy: 2.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -856.181622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.181622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.260234 (E_RNA)
where:
Base-Base interactions energy: -602.176
where: short stacking energy: -236.419
Base-Backbone interact. energy: 0.311
local terms energy: -262.395308
where:
bonds (distance) C4'-P energy: -50.416
bonds (distance) P-C4' energy: -52.825
flat angles C4'-P-C4' energy: -64.287
flat angles P-C4'-P energy: -48.234
tors. eta vs tors. theta energy: -46.633
Dist. restrs. and SS energy: 8.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1257.201800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.201800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.697947 (E_RNA)
where:
Base-Base interactions energy: -870.710
where: short stacking energy: -367.508
Base-Backbone interact. energy: -4.235
local terms energy: -385.752909
where:
bonds (distance) C4'-P energy: -68.666
bonds (distance) P-C4' energy: -66.328
flat angles C4'-P-C4' energy: -79.048
flat angles P-C4'-P energy: -62.048
tors. eta vs tors. theta energy: -109.663
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: 2, replica: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1223.694001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.694001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.688524 (E_RNA)
where:
Base-Base interactions energy: -865.437
where: short stacking energy: -345.370
Base-Backbone interact. energy: -1.413
local terms energy: -359.838965
where:
bonds (distance) C4'-P energy: -73.397
bonds (distance) P-C4' energy: -64.906
flat angles C4'-P-C4' energy: -74.111
flat angles P-C4'-P energy: -51.405
tors. eta vs tors. theta energy: -96.020
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: 3, replica: 7
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1205.874748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.874748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.705633 (E_RNA)
where:
Base-Base interactions energy: -849.166
where: short stacking energy: -372.895
Base-Backbone interact. energy: -0.123
local terms energy: -360.416183
where:
bonds (distance) C4'-P energy: -56.596
bonds (distance) P-C4' energy: -72.560
flat angles C4'-P-C4' energy: -74.626
flat angles P-C4'-P energy: -55.598
tors. eta vs tors. theta energy: -101.036
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: 6
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1116.557166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.557166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.135395 (E_RNA)
where:
Base-Base interactions energy: -773.713
where: short stacking energy: -320.617
Base-Backbone interact. energy: 0.375
local terms energy: -346.798094
where:
bonds (distance) C4'-P energy: -72.227
bonds (distance) P-C4' energy: -68.175
flat angles C4'-P-C4' energy: -68.028
flat angles P-C4'-P energy: -43.325
tors. eta vs tors. theta energy: -95.043
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: 5, replica: 2
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1055.393578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.393578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.907287 (E_RNA)
where:
Base-Base interactions energy: -735.889
where: short stacking energy: -313.423
Base-Backbone interact. energy: -1.913
local terms energy: -323.104741
where:
bonds (distance) C4'-P energy: -63.212
bonds (distance) P-C4' energy: -54.703
flat angles C4'-P-C4' energy: -72.370
flat angles P-C4'-P energy: -50.476
tors. eta vs tors. theta energy: -82.344
Dist. restrs. and SS energy: 5.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1055.040395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.040395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.747072 (E_RNA)
where:
Base-Base interactions energy: -735.200
where: short stacking energy: -299.985
Base-Backbone interact. energy: 0.940
local terms energy: -325.487071
where:
bonds (distance) C4'-P energy: -60.287
bonds (distance) P-C4' energy: -70.520
flat angles C4'-P-C4' energy: -73.717
flat angles P-C4'-P energy: -48.268
tors. eta vs tors. theta energy: -72.696
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: 7, replica: 5
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1002.358195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.358195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.688659 (E_RNA)
where:
Base-Base interactions energy: -706.719
where: short stacking energy: -268.912
Base-Backbone interact. energy: 1.196
local terms energy: -300.166008
where:
bonds (distance) C4'-P energy: -49.814
bonds (distance) P-C4' energy: -65.713
flat angles C4'-P-C4' energy: -70.724
flat angles P-C4'-P energy: -40.350
tors. eta vs tors. theta energy: -73.564
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: 8, replica: 1
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -897.698822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.698822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.446913 (E_RNA)
where:
Base-Base interactions energy: -610.066
where: short stacking energy: -231.850
Base-Backbone interact. energy: -1.861
local terms energy: -288.520161
where:
bonds (distance) C4'-P energy: -51.273
bonds (distance) P-C4' energy: -73.183
flat angles C4'-P-C4' energy: -54.993
flat angles P-C4'-P energy: -48.551
tors. eta vs tors. theta energy: -60.520
Dist. restrs. and SS energy: 2.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -874.724634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.724634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.296832 (E_RNA)
where:
Base-Base interactions energy: -608.304
where: short stacking energy: -235.117
Base-Backbone interact. energy: -1.148
local terms energy: -269.844875
where:
bonds (distance) C4'-P energy: -60.058
bonds (distance) P-C4' energy: -63.496
flat angles C4'-P-C4' energy: -56.494
flat angles P-C4'-P energy: -27.616
tors. eta vs tors. theta energy: -62.182
Dist. restrs. and SS energy: 4.572 (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: 470
Temperature: 1.350000
Total energy: -856.735296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.735296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.318266 (E_RNA)
where:
Base-Base interactions energy: -589.890
where: short stacking energy: -233.990
Base-Backbone interact. energy: 1.668
local terms energy: -277.096397
where:
bonds (distance) C4'-P energy: -64.660
bonds (distance) P-C4' energy: -61.987
flat angles C4'-P-C4' energy: -55.249
flat angles P-C4'-P energy: -35.839
tors. eta vs tors. theta energy: -59.361
Dist. restrs. and SS energy: 8.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1250.276113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.276113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.424098 (E_RNA)
where:
Base-Base interactions energy: -871.701
where: short stacking energy: -352.655
Base-Backbone interact. energy: -2.308
local terms energy: -379.414565
where:
bonds (distance) C4'-P energy: -66.596
bonds (distance) P-C4' energy: -71.858
flat angles C4'-P-C4' energy: -73.932
flat angles P-C4'-P energy: -60.895
tors. eta vs tors. theta energy: -106.134
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: 2, replica: 4
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1225.651077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.651077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.204729 (E_RNA)
where:
Base-Base interactions energy: -850.149
where: short stacking energy: -341.540
Base-Backbone interact. energy: -3.514
local terms energy: -375.541451
where:
bonds (distance) C4'-P energy: -79.318
bonds (distance) P-C4' energy: -63.288
flat angles C4'-P-C4' energy: -80.407
flat angles P-C4'-P energy: -53.265
tors. eta vs tors. theta energy: -99.263
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: 3, replica: 7
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1204.203162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.203162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.778310 (E_RNA)
where:
Base-Base interactions energy: -840.193
where: short stacking energy: -355.523
Base-Backbone interact. energy: -1.554
local terms energy: -366.031759
where:
bonds (distance) C4'-P energy: -58.772
bonds (distance) P-C4' energy: -69.563
flat angles C4'-P-C4' energy: -82.730
flat angles P-C4'-P energy: -55.110
tors. eta vs tors. theta energy: -99.857
Dist. restrs. and SS energy: 3.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1144.733994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.733994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.396774 (E_RNA)
where:
Base-Base interactions energy: -778.981
where: short stacking energy: -339.792
Base-Backbone interact. energy: -3.059
local terms energy: -367.357167
where:
bonds (distance) C4'-P energy: -71.742
bonds (distance) P-C4' energy: -66.457
flat angles C4'-P-C4' energy: -70.469
flat angles P-C4'-P energy: -59.996
tors. eta vs tors. theta energy: -98.693
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: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1070.440604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.440604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.705867 (E_RNA)
where:
Base-Base interactions energy: -737.946
where: short stacking energy: -282.506
Base-Backbone interact. energy: -2.231
local terms energy: -334.529463
where:
bonds (distance) C4'-P energy: -67.577
bonds (distance) P-C4' energy: -65.031
flat angles C4'-P-C4' energy: -67.211
flat angles P-C4'-P energy: -52.942
tors. eta vs tors. theta energy: -81.767
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: 8
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1013.541518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.541518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.615866 (E_RNA)
where:
Base-Base interactions energy: -706.530
where: short stacking energy: -296.260
Base-Backbone interact. energy: 2.618
local terms energy: -312.704133
where:
bonds (distance) C4'-P energy: -65.383
bonds (distance) P-C4' energy: -60.656
flat angles C4'-P-C4' energy: -72.696
flat angles P-C4'-P energy: -42.312
tors. eta vs tors. theta energy: -71.658
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: 7, replica: 5
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1018.312525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.312525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.474065 (E_RNA)
where:
Base-Base interactions energy: -713.366
where: short stacking energy: -289.186
Base-Backbone interact. energy: -1.019
local terms energy: -307.088397
where:
bonds (distance) C4'-P energy: -56.953
bonds (distance) P-C4' energy: -61.451
flat angles C4'-P-C4' energy: -63.683
flat angles P-C4'-P energy: -42.076
tors. eta vs tors. theta energy: -82.926
Dist. restrs. and SS energy: 3.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -929.396378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.396378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.912878 (E_RNA)
where:
Base-Base interactions energy: -644.358
where: short stacking energy: -257.717
Base-Backbone interact. energy: -0.761
local terms energy: -291.793317
where:
bonds (distance) C4'-P energy: -48.406
bonds (distance) P-C4' energy: -60.097
flat angles C4'-P-C4' energy: -59.802
flat angles P-C4'-P energy: -49.470
tors. eta vs tors. theta energy: -74.019
Dist. restrs. and SS energy: 7.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -891.961893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.961893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.261756 (E_RNA)
where:
Base-Base interactions energy: -610.300
where: short stacking energy: -245.593
Base-Backbone interact. energy: -1.747
local terms energy: -281.213996
where:
bonds (distance) C4'-P energy: -50.468
bonds (distance) P-C4' energy: -64.869
flat angles C4'-P-C4' energy: -59.142
flat angles P-C4'-P energy: -48.284
tors. eta vs tors. theta energy: -58.451
Dist. restrs. and SS energy: 1.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -853.508250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.508250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.164415 (E_RNA)
where:
Base-Base interactions energy: -602.294
where: short stacking energy: -230.844
Base-Backbone interact. energy: 0.921
local terms energy: -256.792030
where:
bonds (distance) C4'-P energy: -46.420
bonds (distance) P-C4' energy: -66.689
flat angles C4'-P-C4' energy: -57.099
flat angles P-C4'-P energy: -39.726
tors. eta vs tors. theta energy: -46.858
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: 1, replica: 9
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1247.147024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.147024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.390729 (E_RNA)
where:
Base-Base interactions energy: -885.157
where: short stacking energy: -373.727
Base-Backbone interact. energy: -1.586
local terms energy: -363.647740
where:
bonds (distance) C4'-P energy: -68.768
bonds (distance) P-C4' energy: -61.697
flat angles C4'-P-C4' energy: -68.420
flat angles P-C4'-P energy: -53.702
tors. eta vs tors. theta energy: -111.060
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: 4
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1221.033901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.033901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.166591 (E_RNA)
where:
Base-Base interactions energy: -863.015
where: short stacking energy: -351.866
Base-Backbone interact. energy: -1.797
local terms energy: -359.354270
where:
bonds (distance) C4'-P energy: -64.056
bonds (distance) P-C4' energy: -70.579
flat angles C4'-P-C4' energy: -83.361
flat angles P-C4'-P energy: -36.317
tors. eta vs tors. theta energy: -105.042
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: 3, replica: 7
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1209.764159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.764159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.497423 (E_RNA)
where:
Base-Base interactions energy: -834.573
where: short stacking energy: -345.387
Base-Backbone interact. energy: -1.023
local terms energy: -377.901525
where:
bonds (distance) C4'-P energy: -65.873
bonds (distance) P-C4' energy: -64.870
flat angles C4'-P-C4' energy: -82.747
flat angles P-C4'-P energy: -55.686
tors. eta vs tors. theta energy: -108.726
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: 6
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1097.259333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.259333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.478133 (E_RNA)
where:
Base-Base interactions energy: -762.085
where: short stacking energy: -309.441
Base-Backbone interact. energy: -1.609
local terms energy: -338.784074
where:
bonds (distance) C4'-P energy: -66.252
bonds (distance) P-C4' energy: -57.787
flat angles C4'-P-C4' energy: -62.636
flat angles P-C4'-P energy: -53.889
tors. eta vs tors. theta energy: -98.220
Dist. restrs. and SS energy: 5.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1091.322683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.322683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.142003 (E_RNA)
where:
Base-Base interactions energy: -763.475
where: short stacking energy: -311.203
Base-Backbone interact. energy: -0.875
local terms energy: -332.792165
where:
bonds (distance) C4'-P energy: -59.789
bonds (distance) P-C4' energy: -59.802
flat angles C4'-P-C4' energy: -76.641
flat angles P-C4'-P energy: -48.049
tors. eta vs tors. theta energy: -88.512
Dist. restrs. and SS energy: 5.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -983.809516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.809516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.219457 (E_RNA)
where:
Base-Base interactions energy: -691.873
where: short stacking energy: -280.652
Base-Backbone interact. energy: -1.846
local terms energy: -299.500725
where:
bonds (distance) C4'-P energy: -55.446
bonds (distance) P-C4' energy: -50.388
flat angles C4'-P-C4' energy: -68.425
flat angles P-C4'-P energy: -49.317
tors. eta vs tors. theta energy: -75.925
Dist. restrs. and SS energy: 9.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1006.728773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.728773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.248283 (E_RNA)
where:
Base-Base interactions energy: -703.566
where: short stacking energy: -278.248
Base-Backbone interact. energy: -2.473
local terms energy: -306.209224
where:
bonds (distance) C4'-P energy: -66.112
bonds (distance) P-C4' energy: -57.304
flat angles C4'-P-C4' energy: -67.881
flat angles P-C4'-P energy: -45.938
tors. eta vs tors. theta energy: -68.974
Dist. restrs. and SS energy: 5.520 (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: 3
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -936.053226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.053226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.695337 (E_RNA)
where:
Base-Base interactions energy: -671.185
where: short stacking energy: -281.841
Base-Backbone interact. energy: -0.137
local terms energy: -271.373234
where:
bonds (distance) C4'-P energy: -47.607
bonds (distance) P-C4' energy: -61.278
flat angles C4'-P-C4' energy: -63.469
flat angles P-C4'-P energy: -31.107
tors. eta vs tors. theta energy: -67.912
Dist. restrs. and SS energy: 6.642 (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: 472
Temperature: 1.300000
Total energy: -908.547211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.547211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.322970 (E_RNA)
where:
Base-Base interactions energy: -633.736
where: short stacking energy: -256.378
Base-Backbone interact. energy: -0.696
local terms energy: -280.890303
where:
bonds (distance) C4'-P energy: -53.365
bonds (distance) P-C4' energy: -61.082
flat angles C4'-P-C4' energy: -60.063
flat angles P-C4'-P energy: -48.567
tors. eta vs tors. theta energy: -57.814
Dist. restrs. and SS energy: 6.776 (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: 1
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -852.972443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.972443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.858551 (E_RNA)
where:
Base-Base interactions energy: -614.237
where: short stacking energy: -234.413
Base-Backbone interact. energy: 3.044
local terms energy: -252.665788
where:
bonds (distance) C4'-P energy: -52.874
bonds (distance) P-C4' energy: -47.469
flat angles C4'-P-C4' energy: -58.173
flat angles P-C4'-P energy: -39.988
tors. eta vs tors. theta energy: -54.161
Dist. restrs. and SS energy: 10.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1253.075883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.075883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.405656 (E_RNA)
where:
Base-Base interactions energy: -883.081
where: short stacking energy: -364.182
Base-Backbone interact. energy: -0.015
local terms energy: -373.310273
where:
bonds (distance) C4'-P energy: -59.629
bonds (distance) P-C4' energy: -74.813
flat angles C4'-P-C4' energy: -75.419
flat angles P-C4'-P energy: -53.114
tors. eta vs tors. theta energy: -110.334
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: 7
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1222.994331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.994331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.657597 (E_RNA)
where:
Base-Base interactions energy: -841.261
where: short stacking energy: -345.795
Base-Backbone interact. energy: -1.732
local terms energy: -383.665334
where:
bonds (distance) C4'-P energy: -63.214
bonds (distance) P-C4' energy: -73.055
flat angles C4'-P-C4' energy: -82.581
flat angles P-C4'-P energy: -61.647
tors. eta vs tors. theta energy: -103.168
Dist. restrs. and SS energy: 3.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1195.355796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.355796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.678293 (E_RNA)
where:
Base-Base interactions energy: -854.467
where: short stacking energy: -353.882
Base-Backbone interact. energy: 1.071
local terms energy: -346.281975
where:
bonds (distance) C4'-P energy: -56.753
bonds (distance) P-C4' energy: -78.626
flat angles C4'-P-C4' energy: -63.007
flat angles P-C4'-P energy: -52.209
tors. eta vs tors. theta energy: -95.687
Dist. restrs. and SS energy: 4.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1093.789140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.789140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.646403 (E_RNA)
where:
Base-Base interactions energy: -761.786
where: short stacking energy: -305.326
Base-Backbone interact. energy: 0.898
local terms energy: -336.758591
where:
bonds (distance) C4'-P energy: -61.791
bonds (distance) P-C4' energy: -66.418
flat angles C4'-P-C4' energy: -71.177
flat angles P-C4'-P energy: -53.726
tors. eta vs tors. theta energy: -83.647
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: 6
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1092.057934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.057934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.207879 (E_RNA)
where:
Base-Base interactions energy: -762.464
where: short stacking energy: -335.915
Base-Backbone interact. energy: -2.464
local terms energy: -331.279936
where:
bonds (distance) C4'-P energy: -59.993
bonds (distance) P-C4' energy: -54.482
flat angles C4'-P-C4' energy: -77.123
flat angles P-C4'-P energy: -48.597
tors. eta vs tors. theta energy: -91.085
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: 6, replica: 8
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1008.631818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.631818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.345213 (E_RNA)
where:
Base-Base interactions energy: -700.587
where: short stacking energy: -290.150
Base-Backbone interact. energy: -1.022
local terms energy: -308.735751
where:
bonds (distance) C4'-P energy: -50.716
bonds (distance) P-C4' energy: -68.452
flat angles C4'-P-C4' energy: -68.211
flat angles P-C4'-P energy: -53.832
tors. eta vs tors. theta energy: -67.525
Dist. restrs. and SS energy: 1.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -968.060056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.060056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.828976 (E_RNA)
where:
Base-Base interactions energy: -672.709
where: short stacking energy: -262.904
Base-Backbone interact. energy: 2.786
local terms energy: -302.905864
where:
bonds (distance) C4'-P energy: -63.086
bonds (distance) P-C4' energy: -60.529
flat angles C4'-P-C4' energy: -67.961
flat angles P-C4'-P energy: -44.483
tors. eta vs tors. theta energy: -66.847
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: 8, replica: 10
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -928.725222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.725222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.377913 (E_RNA)
where:
Base-Base interactions energy: -652.251
where: short stacking energy: -266.517
Base-Backbone interact. energy: -0.793
local terms energy: -277.333568
where:
bonds (distance) C4'-P energy: -54.947
bonds (distance) P-C4' energy: -55.858
flat angles C4'-P-C4' energy: -61.909
flat angles P-C4'-P energy: -36.212
tors. eta vs tors. theta energy: -68.408
Dist. restrs. and SS energy: 1.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -909.275540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.275540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.979340 (E_RNA)
where:
Base-Base interactions energy: -655.961
where: short stacking energy: -267.847
Base-Backbone interact. energy: 1.400
local terms energy: -267.418780
where:
bonds (distance) C4'-P energy: -50.493
bonds (distance) P-C4' energy: -60.921
flat angles C4'-P-C4' energy: -61.821
flat angles P-C4'-P energy: -29.795
tors. eta vs tors. theta energy: -64.389
Dist. restrs. and SS energy: 12.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -844.056639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.056639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.615508 (E_RNA)
where:
Base-Base interactions energy: -582.344
where: short stacking energy: -230.295
Base-Backbone interact. energy: -2.248
local terms energy: -267.023476
where:
bonds (distance) C4'-P energy: -57.113
bonds (distance) P-C4' energy: -54.628
flat angles C4'-P-C4' energy: -59.505
flat angles P-C4'-P energy: -38.917
tors. eta vs tors. theta energy: -56.861
Dist. restrs. and SS energy: 7.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1225.575847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.575847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.867300 (E_RNA)
where:
Base-Base interactions energy: -849.088
where: short stacking energy: -353.208
Base-Backbone interact. energy: -0.874
local terms energy: -378.904936
where:
bonds (distance) C4'-P energy: -65.874
bonds (distance) P-C4' energy: -73.030
flat angles C4'-P-C4' energy: -80.805
flat angles P-C4'-P energy: -50.260
tors. eta vs tors. theta energy: -108.935
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: 2, replica: 9
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1218.688556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.688556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.565857 (E_RNA)
where:
Base-Base interactions energy: -861.309
where: short stacking energy: -354.856
Base-Backbone interact. energy: -1.946
local terms energy: -358.311689
where:
bonds (distance) C4'-P energy: -70.929
bonds (distance) P-C4' energy: -65.498
flat angles C4'-P-C4' energy: -74.703
flat angles P-C4'-P energy: -51.408
tors. eta vs tors. theta energy: -95.774
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: 4
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1215.688250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.688250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.771140 (E_RNA)
where:
Base-Base interactions energy: -866.493
where: short stacking energy: -355.095
Base-Backbone interact. energy: -2.493
local terms energy: -348.784973
where:
bonds (distance) C4'-P energy: -64.576
bonds (distance) P-C4' energy: -64.028
flat angles C4'-P-C4' energy: -73.871
flat angles P-C4'-P energy: -50.750
tors. eta vs tors. theta energy: -95.559
Dist. restrs. and SS energy: 2.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1148.246916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.246916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.927707 (E_RNA)
where:
Base-Base interactions energy: -797.671
where: short stacking energy: -333.140
Base-Backbone interact. energy: -0.428
local terms energy: -353.827893
where:
bonds (distance) C4'-P energy: -77.827
bonds (distance) P-C4' energy: -63.516
flat angles C4'-P-C4' energy: -69.310
flat angles P-C4'-P energy: -48.860
tors. eta vs tors. theta energy: -94.315
Dist. restrs. and SS energy: 3.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -1081.042997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.042997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.310392 (E_RNA)
where:
Base-Base interactions energy: -748.303
where: short stacking energy: -306.921
Base-Backbone interact. energy: -0.765
local terms energy: -336.243027
where:
bonds (distance) C4'-P energy: -61.543
bonds (distance) P-C4' energy: -56.198
flat angles C4'-P-C4' energy: -76.811
flat angles P-C4'-P energy: -50.863
tors. eta vs tors. theta energy: -90.827
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: 6, replica: 8
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1015.103122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.103122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.024499 (E_RNA)
where:
Base-Base interactions energy: -702.148
where: short stacking energy: -279.816
Base-Backbone interact. energy: 0.252
local terms energy: -314.128015
where:
bonds (distance) C4'-P energy: -62.371
bonds (distance) P-C4' energy: -70.984
flat angles C4'-P-C4' energy: -64.265
flat angles P-C4'-P energy: -45.089
tors. eta vs tors. theta energy: -71.419
Dist. restrs. and SS energy: 0.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -976.375777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.375777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.616901 (E_RNA)
where:
Base-Base interactions energy: -697.435
where: short stacking energy: -257.641
Base-Backbone interact. energy: 2.236
local terms energy: -283.418731
where:
bonds (distance) C4'-P energy: -53.706
bonds (distance) P-C4' energy: -59.563
flat angles C4'-P-C4' energy: -72.543
flat angles P-C4'-P energy: -29.816
tors. eta vs tors. theta energy: -67.792
Dist. restrs. and SS energy: 2.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -919.993110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.993110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.450426 (E_RNA)
where:
Base-Base interactions energy: -663.564
where: short stacking energy: -255.456
Base-Backbone interact. energy: 0.144
local terms energy: -263.030642
where:
bonds (distance) C4'-P energy: -49.370
bonds (distance) P-C4' energy: -62.433
flat angles C4'-P-C4' energy: -60.424
flat angles P-C4'-P energy: -33.430
tors. eta vs tors. theta energy: -57.374
Dist. restrs. and SS energy: 6.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -871.822992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.822992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.833015 (E_RNA)
where:
Base-Base interactions energy: -611.243
where: short stacking energy: -234.812
Base-Backbone interact. energy: -0.173
local terms energy: -266.417723
where:
bonds (distance) C4'-P energy: -60.106
bonds (distance) P-C4' energy: -56.662
flat angles C4'-P-C4' energy: -55.831
flat angles P-C4'-P energy: -41.640
tors. eta vs tors. theta energy: -52.179
Dist. restrs. and SS energy: 6.010 (S_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: 474
Temperature: 1.350000
Total energy: -832.278205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.278205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.028413 (E_RNA)
where:
Base-Base interactions energy: -603.379
where: short stacking energy: -228.054
Base-Backbone interact. energy: 1.181
local terms energy: -234.830163
where:
bonds (distance) C4'-P energy: -41.972
bonds (distance) P-C4' energy: -45.788
flat angles C4'-P-C4' energy: -63.500
flat angles P-C4'-P energy: -22.337
tors. eta vs tors. theta energy: -61.233
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: 1, replica: 7
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1254.683659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.683659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.374329 (E_RNA)
where:
Base-Base interactions energy: -865.609
where: short stacking energy: -367.218
Base-Backbone interact. energy: -0.826
local terms energy: -391.939001
where:
bonds (distance) C4'-P energy: -72.163
bonds (distance) P-C4' energy: -71.864
flat angles C4'-P-C4' energy: -86.136
flat angles P-C4'-P energy: -54.995
tors. eta vs tors. theta energy: -106.781
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: 2, replica: 4
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1216.974577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.974577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.934970 (E_RNA)
where:
Base-Base interactions energy: -847.579
where: short stacking energy: -350.168
Base-Backbone interact. energy: -2.527
local terms energy: -370.828970
where:
bonds (distance) C4'-P energy: -64.597
bonds (distance) P-C4' energy: -64.365
flat angles C4'-P-C4' energy: -89.379
flat angles P-C4'-P energy: -56.294
tors. eta vs tors. theta energy: -96.194
Dist. restrs. and SS energy: 3.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1200.085084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.085084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.973581 (E_RNA)
where:
Base-Base interactions energy: -841.272
where: short stacking energy: -342.809
Base-Backbone interact. energy: 0.158
local terms energy: -361.860001
where:
bonds (distance) C4'-P energy: -55.262
bonds (distance) P-C4' energy: -64.643
flat angles C4'-P-C4' energy: -74.076
flat angles P-C4'-P energy: -58.652
tors. eta vs tors. theta energy: -109.227
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: 4, replica: 2
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1119.429995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.429995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.572153 (E_RNA)
where:
Base-Base interactions energy: -777.244
where: short stacking energy: -330.879
Base-Backbone interact. energy: 0.930
local terms energy: -346.257910
where:
bonds (distance) C4'-P energy: -70.031
bonds (distance) P-C4' energy: -70.770
flat angles C4'-P-C4' energy: -65.889
flat angles P-C4'-P energy: -47.995
tors. eta vs tors. theta energy: -91.573
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: 5, replica: 6
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1105.710847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.710847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.245631 (E_RNA)
where:
Base-Base interactions energy: -760.736
where: short stacking energy: -327.174
Base-Backbone interact. energy: -1.585
local terms energy: -347.924133
where:
bonds (distance) C4'-P energy: -58.018
bonds (distance) P-C4' energy: -64.354
flat angles C4'-P-C4' energy: -75.973
flat angles P-C4'-P energy: -55.513
tors. eta vs tors. theta energy: -94.067
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: 8
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1018.952494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.952494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.956205 (E_RNA)
where:
Base-Base interactions energy: -712.660
where: short stacking energy: -305.407
Base-Backbone interact. energy: 3.009
local terms energy: -311.305308
where:
bonds (distance) C4'-P energy: -58.161
bonds (distance) P-C4' energy: -59.484
flat angles C4'-P-C4' energy: -59.887
flat angles P-C4'-P energy: -49.087
tors. eta vs tors. theta energy: -84.687
Dist. restrs. and SS energy: 2.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -946.609994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.609994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.993187 (E_RNA)
where:
Base-Base interactions energy: -676.005
where: short stacking energy: -264.440
Base-Backbone interact. energy: 2.912
local terms energy: -275.900417
where:
bonds (distance) C4'-P energy: -49.346
bonds (distance) P-C4' energy: -53.338
flat angles C4'-P-C4' energy: -67.413
flat angles P-C4'-P energy: -41.613
tors. eta vs tors. theta energy: -64.191
Dist. restrs. and SS energy: 2.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -915.194036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.194036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.385966 (E_RNA)
where:
Base-Base interactions energy: -640.980
where: short stacking energy: -248.222
Base-Backbone interact. energy: 0.367
local terms energy: -280.772971
where:
bonds (distance) C4'-P energy: -50.841
bonds (distance) P-C4' energy: -41.589
flat angles C4'-P-C4' energy: -76.055
flat angles P-C4'-P energy: -44.381
tors. eta vs tors. theta energy: -67.906
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: 9, replica: 5
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -893.022325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.022325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.884553 (E_RNA)
where:
Base-Base interactions energy: -621.556
where: short stacking energy: -247.752
Base-Backbone interact. energy: -0.910
local terms energy: -275.418013
where:
bonds (distance) C4'-P energy: -61.579
bonds (distance) P-C4' energy: -53.701
flat angles C4'-P-C4' energy: -67.154
flat angles P-C4'-P energy: -47.988
tors. eta vs tors. theta energy: -44.996
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: 10, replica: 1
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -849.531374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.531374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.400027 (E_RNA)
where:
Base-Base interactions energy: -608.962
where: short stacking energy: -247.235
Base-Backbone interact. energy: 2.966
local terms energy: -252.404257
where:
bonds (distance) C4'-P energy: -34.097
bonds (distance) P-C4' energy: -52.395
flat angles C4'-P-C4' energy: -64.679
flat angles P-C4'-P energy: -34.877
tors. eta vs tors. theta energy: -66.357
Dist. restrs. and SS energy: 8.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1255.601026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.601026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.123613 (E_RNA)
where:
Base-Base interactions energy: -877.202
where: short stacking energy: -365.152
Base-Backbone interact. energy: -0.295
local terms energy: -381.626246
where:
bonds (distance) C4'-P energy: -69.169
bonds (distance) P-C4' energy: -68.587
flat angles C4'-P-C4' energy: -80.680
flat angles P-C4'-P energy: -63.229
tors. eta vs tors. theta energy: -99.962
Dist. restrs. and SS energy: 3.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1210.565356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.565356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.569003 (E_RNA)
where:
Base-Base interactions energy: -824.873
where: short stacking energy: -341.391
Base-Backbone interact. energy: -0.775
local terms energy: -389.920661
where:
bonds (distance) C4'-P energy: -72.000
bonds (distance) P-C4' energy: -77.245
flat angles C4'-P-C4' energy: -77.320
flat angles P-C4'-P energy: -61.816
tors. eta vs tors. theta energy: -101.539
Dist. restrs. and SS energy: 5.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1180.781725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.781725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.873425 (E_RNA)
where:
Base-Base interactions energy: -828.201
where: short stacking energy: -342.548
Base-Backbone interact. energy: 3.406
local terms energy: -360.078822
where:
bonds (distance) C4'-P energy: -75.932
bonds (distance) P-C4' energy: -63.141
flat angles C4'-P-C4' energy: -72.043
flat angles P-C4'-P energy: -50.124
tors. eta vs tors. theta energy: -98.840
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: 4, replica: 2
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1113.192914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.192914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.627458 (E_RNA)
where:
Base-Base interactions energy: -770.268
where: short stacking energy: -319.069
Base-Backbone interact. energy: -2.338
local terms energy: -345.021812
where:
bonds (distance) C4'-P energy: -63.903
bonds (distance) P-C4' energy: -69.916
flat angles C4'-P-C4' energy: -68.904
flat angles P-C4'-P energy: -50.213
tors. eta vs tors. theta energy: -92.086
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: 5, replica: 6
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1090.858323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.858323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.876934 (E_RNA)
where:
Base-Base interactions energy: -751.746
where: short stacking energy: -321.307
Base-Backbone interact. energy: 0.975
local terms energy: -345.105860
where:
bonds (distance) C4'-P energy: -67.217
bonds (distance) P-C4' energy: -71.691
flat angles C4'-P-C4' energy: -70.998
flat angles P-C4'-P energy: -45.624
tors. eta vs tors. theta energy: -89.576
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: 8
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -986.600749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.600749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.899513 (E_RNA)
where:
Base-Base interactions energy: -698.668
where: short stacking energy: -278.464
Base-Backbone interact. energy: -1.971
local terms energy: -286.259939
where:
bonds (distance) C4'-P energy: -52.339
bonds (distance) P-C4' energy: -54.573
flat angles C4'-P-C4' energy: -72.063
flat angles P-C4'-P energy: -47.170
tors. eta vs tors. theta energy: -60.116
Dist. restrs. and SS energy: 0.299 (S_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: 476
Temperature: 1.200000
Total energy: -965.762165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.762165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.198415 (E_RNA)
where:
Base-Base interactions energy: -669.284
where: short stacking energy: -267.670
Base-Backbone interact. energy: -3.964
local terms energy: -300.950410
where:
bonds (distance) C4'-P energy: -57.670
bonds (distance) P-C4' energy: -62.217
flat angles C4'-P-C4' energy: -69.060
flat angles P-C4'-P energy: -46.636
tors. eta vs tors. theta energy: -65.367
Dist. restrs. and SS energy: 8.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -928.530600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.530600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.928984 (E_RNA)
where:
Base-Base interactions energy: -647.814
where: short stacking energy: -251.177
Base-Backbone interact. energy: -2.148
local terms energy: -284.966859
where:
bonds (distance) C4'-P energy: -50.363
bonds (distance) P-C4' energy: -78.027
flat angles C4'-P-C4' energy: -59.674
flat angles P-C4'-P energy: -34.802
tors. eta vs tors. theta energy: -62.100
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: 9, replica: 5
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -898.536512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.536512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.139945 (E_RNA)
where:
Base-Base interactions energy: -634.083
where: short stacking energy: -270.132
Base-Backbone interact. energy: -1.173
local terms energy: -266.884442
where:
bonds (distance) C4'-P energy: -52.518
bonds (distance) P-C4' energy: -67.793
flat angles C4'-P-C4' energy: -67.078
flat angles P-C4'-P energy: -19.952
tors. eta vs tors. theta energy: -59.542
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: 10, replica: 1
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -846.243246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.243246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.067305 (E_RNA)
where:
Base-Base interactions energy: -578.809
where: short stacking energy: -221.809
Base-Backbone interact. energy: -1.205
local terms energy: -270.052689
where:
bonds (distance) C4'-P energy: -53.445
bonds (distance) P-C4' energy: -60.588
flat angles C4'-P-C4' energy: -60.043
flat angles P-C4'-P energy: -38.496
tors. eta vs tors. theta energy: -57.481
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: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1256.008904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.008904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.630589 (E_RNA)
where:
Base-Base interactions energy: -894.620
where: short stacking energy: -375.457
Base-Backbone interact. energy: 0.535
local terms energy: -364.545927
where:
bonds (distance) C4'-P energy: -58.821
bonds (distance) P-C4' energy: -62.776
flat angles C4'-P-C4' energy: -81.858
flat angles P-C4'-P energy: -48.347
tors. eta vs tors. theta energy: -112.743
Dist. restrs. and SS energy: 2.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1228.450743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.450743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.095143 (E_RNA)
where:
Base-Base interactions energy: -833.392
where: short stacking energy: -342.257
Base-Backbone interact. energy: -4.004
local terms energy: -393.699391
where:
bonds (distance) C4'-P energy: -79.058
bonds (distance) P-C4' energy: -71.591
flat angles C4'-P-C4' energy: -75.665
flat angles P-C4'-P energy: -61.926
tors. eta vs tors. theta energy: -105.459
Dist. restrs. and SS energy: 2.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1170.193706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.193706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.744411 (E_RNA)
where:
Base-Base interactions energy: -815.458
where: short stacking energy: -354.542
Base-Backbone interact. energy: 0.041
local terms energy: -358.328295
where:
bonds (distance) C4'-P energy: -62.991
bonds (distance) P-C4' energy: -72.492
flat angles C4'-P-C4' energy: -72.438
flat angles P-C4'-P energy: -48.080
tors. eta vs tors. theta energy: -102.328
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: 4, replica: 2
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1103.448466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.448466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.251423 (E_RNA)
where:
Base-Base interactions energy: -782.397
where: short stacking energy: -341.417
Base-Backbone interact. energy: -1.681
local terms energy: -323.173675
where:
bonds (distance) C4'-P energy: -52.697
bonds (distance) P-C4' energy: -66.111
flat angles C4'-P-C4' energy: -59.232
flat angles P-C4'-P energy: -47.808
tors. eta vs tors. theta energy: -97.325
Dist. restrs. and SS energy: 3.803 (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: 6
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1081.884265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.884265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.921210 (E_RNA)
where:
Base-Base interactions energy: -748.616
where: short stacking energy: -314.003
Base-Backbone interact. energy: -2.859
local terms energy: -335.446029
where:
bonds (distance) C4'-P energy: -64.309
bonds (distance) P-C4' energy: -63.217
flat angles C4'-P-C4' energy: -70.080
flat angles P-C4'-P energy: -48.010
tors. eta vs tors. theta energy: -89.829
Dist. restrs. and SS energy: 5.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1019.081851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.081851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.145437 (E_RNA)
where:
Base-Base interactions energy: -696.054
where: short stacking energy: -286.486
Base-Backbone interact. energy: -3.196
local terms energy: -320.895372
where:
bonds (distance) C4'-P energy: -57.950
bonds (distance) P-C4' energy: -61.350
flat angles C4'-P-C4' energy: -73.529
flat angles P-C4'-P energy: -51.902
tors. eta vs tors. theta energy: -76.164
Dist. restrs. and SS energy: 1.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -975.241992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.241992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.520019 (E_RNA)
where:
Base-Base interactions energy: -684.178
where: short stacking energy: -273.865
Base-Backbone interact. energy: -0.954
local terms energy: -292.387620
where:
bonds (distance) C4'-P energy: -47.549
bonds (distance) P-C4' energy: -73.428
flat angles C4'-P-C4' energy: -61.341
flat angles P-C4'-P energy: -40.711
tors. eta vs tors. theta energy: -69.358
Dist. restrs. and SS energy: 2.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -913.296212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.296212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.273299 (E_RNA)
where:
Base-Base interactions energy: -640.735
where: short stacking energy: -270.896
Base-Backbone interact. energy: -1.411
local terms energy: -277.127568
where:
bonds (distance) C4'-P energy: -66.250
bonds (distance) P-C4' energy: -42.173
flat angles C4'-P-C4' energy: -61.292
flat angles P-C4'-P energy: -45.111
tors. eta vs tors. theta energy: -62.301
Dist. restrs. and SS energy: 5.977 (S_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: 477
Temperature: 1.300000
Total energy: -926.498192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.498192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.820291 (E_RNA)
where:
Base-Base interactions energy: -644.222
where: short stacking energy: -247.795
Base-Backbone interact. energy: -3.190
local terms energy: -289.408550
where:
bonds (distance) C4'-P energy: -55.382
bonds (distance) P-C4' energy: -61.028
flat angles C4'-P-C4' energy: -69.420
flat angles P-C4'-P energy: -48.975
tors. eta vs tors. theta energy: -54.605
Dist. restrs. and SS energy: 10.322 (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: 1
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -882.669251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.669251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.367388 (E_RNA)
where:
Base-Base interactions energy: -619.819
where: short stacking energy: -245.936
Base-Backbone interact. energy: -1.181
local terms energy: -265.367807
where:
bonds (distance) C4'-P energy: -51.380
bonds (distance) P-C4' energy: -51.785
flat angles C4'-P-C4' energy: -58.185
flat angles P-C4'-P energy: -45.217
tors. eta vs tors. theta energy: -58.801
Dist. restrs. and SS energy: 3.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1255.546883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.546883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.840037 (E_RNA)
where:
Base-Base interactions energy: -887.063
where: short stacking energy: -363.589
Base-Backbone interact. energy: -1.668
local terms energy: -369.108595
where:
bonds (distance) C4'-P energy: -63.474
bonds (distance) P-C4' energy: -63.749
flat angles C4'-P-C4' energy: -75.557
flat angles P-C4'-P energy: -56.771
tors. eta vs tors. theta energy: -109.559
Dist. restrs. and SS energy: 2.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1227.326231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.326231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.619885 (E_RNA)
where:
Base-Base interactions energy: -859.059
where: short stacking energy: -358.593
Base-Backbone interact. energy: -2.695
local terms energy: -369.866017
where:
bonds (distance) C4'-P energy: -68.974
bonds (distance) P-C4' energy: -69.356
flat angles C4'-P-C4' energy: -72.878
flat angles P-C4'-P energy: -52.316
tors. eta vs tors. theta energy: -106.341
Dist. restrs. and SS energy: 4.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1168.088730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.088730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.829557 (E_RNA)
where:
Base-Base interactions energy: -813.391
where: short stacking energy: -343.206
Base-Backbone interact. energy: -0.744
local terms energy: -356.694478
where:
bonds (distance) C4'-P energy: -74.489
bonds (distance) P-C4' energy: -64.276
flat angles C4'-P-C4' energy: -77.816
flat angles P-C4'-P energy: -44.592
tors. eta vs tors. theta energy: -95.521
Dist. restrs. and SS energy: 2.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1131.359133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.359133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.072547 (E_RNA)
where:
Base-Base interactions energy: -785.917
where: short stacking energy: -327.041
Base-Backbone interact. energy: -1.913
local terms energy: -348.242215
where:
bonds (distance) C4'-P energy: -62.638
bonds (distance) P-C4' energy: -67.821
flat angles C4'-P-C4' energy: -73.341
flat angles P-C4'-P energy: -54.198
tors. eta vs tors. theta energy: -90.244
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: 5, replica: 6
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1034.331121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.331121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.497355 (E_RNA)
where:
Base-Base interactions energy: -728.774
where: short stacking energy: -297.297
Base-Backbone interact. energy: 0.107
local terms energy: -308.829983
where:
bonds (distance) C4'-P energy: -55.730
bonds (distance) P-C4' energy: -70.170
flat angles C4'-P-C4' energy: -66.284
flat angles P-C4'-P energy: -40.380
tors. eta vs tors. theta energy: -76.266
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: 478
Temperature: 1.150000
Total energy: -986.181292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.181292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.598610 (E_RNA)
where:
Base-Base interactions energy: -692.033
where: short stacking energy: -265.248
Base-Backbone interact. energy: 2.680
local terms energy: -299.246198
where:
bonds (distance) C4'-P energy: -62.360
bonds (distance) P-C4' energy: -73.650
flat angles C4'-P-C4' energy: -56.946
flat angles P-C4'-P energy: -46.164
tors. eta vs tors. theta energy: -60.127
Dist. restrs. and SS energy: 2.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -940.535087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.535087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.749581 (E_RNA)
where:
Base-Base interactions energy: -642.264
where: short stacking energy: -244.916
Base-Backbone interact. energy: -1.552
local terms energy: -302.933392
where:
bonds (distance) C4'-P energy: -63.069
bonds (distance) P-C4' energy: -59.903
flat angles C4'-P-C4' energy: -77.107
flat angles P-C4'-P energy: -42.122
tors. eta vs tors. theta energy: -60.734
Dist. restrs. and SS energy: 6.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -958.726107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.726107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.422002 (E_RNA)
where:
Base-Base interactions energy: -684.377
where: short stacking energy: -264.890
Base-Backbone interact. energy: 1.367
local terms energy: -278.412479
where:
bonds (distance) C4'-P energy: -68.849
bonds (distance) P-C4' energy: -51.275
flat angles C4'-P-C4' energy: -44.042
flat angles P-C4'-P energy: -38.783
tors. eta vs tors. theta energy: -75.464
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: 9, replica: 3
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -901.423417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.423417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.096087 (E_RNA)
where:
Base-Base interactions energy: -636.096
where: short stacking energy: -258.741
Base-Backbone interact. energy: -1.877
local terms energy: -268.123063
where:
bonds (distance) C4'-P energy: -60.602
bonds (distance) P-C4' energy: -50.067
flat angles C4'-P-C4' energy: -64.058
flat angles P-C4'-P energy: -38.100
tors. eta vs tors. theta energy: -55.296
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: 10, replica: 1
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -837.450027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.450027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.063432 (E_RNA)
where:
Base-Base interactions energy: -566.703
where: short stacking energy: -221.803
Base-Backbone interact. energy: -1.237
local terms energy: -279.123065
where:
bonds (distance) C4'-P energy: -63.212
bonds (distance) P-C4' energy: -59.482
flat angles C4'-P-C4' energy: -56.507
flat angles P-C4'-P energy: -40.527
tors. eta vs tors. theta energy: -59.395
Dist. restrs. and SS energy: 9.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1250.489060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.489060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.988780 (E_RNA)
where:
Base-Base interactions energy: -868.601
where: short stacking energy: -367.887
Base-Backbone interact. energy: -1.135
local terms energy: -383.252455
where:
bonds (distance) C4'-P energy: -70.918
bonds (distance) P-C4' energy: -72.409
flat angles C4'-P-C4' energy: -79.581
flat angles P-C4'-P energy: -52.583
tors. eta vs tors. theta energy: -107.761
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: 7
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1168.998695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.998695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.140960 (E_RNA)
where:
Base-Base interactions energy: -795.809
where: short stacking energy: -325.330
Base-Backbone interact. energy: -1.217
local terms energy: -376.114095
where:
bonds (distance) C4'-P energy: -72.327
bonds (distance) P-C4' energy: -75.762
flat angles C4'-P-C4' energy: -84.262
flat angles P-C4'-P energy: -48.765
tors. eta vs tors. theta energy: -94.998
Dist. restrs. and SS energy: 4.142 (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: 9
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1192.676238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.676238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.313930 (E_RNA)
where:
Base-Base interactions energy: -835.284
where: short stacking energy: -339.736
Base-Backbone interact. energy: 0.732
local terms energy: -359.761990
where:
bonds (distance) C4'-P energy: -68.613
bonds (distance) P-C4' energy: -66.720
flat angles C4'-P-C4' energy: -74.285
flat angles P-C4'-P energy: -51.238
tors. eta vs tors. theta energy: -98.906
Dist. restrs. and SS energy: 1.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1128.701423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.701423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.467048 (E_RNA)
where:
Base-Base interactions energy: -789.331
where: short stacking energy: -314.189
Base-Backbone interact. energy: -1.050
local terms energy: -343.085814
where:
bonds (distance) C4'-P energy: -66.953
bonds (distance) P-C4' energy: -61.909
flat angles C4'-P-C4' energy: -73.720
flat angles P-C4'-P energy: -56.286
tors. eta vs tors. theta energy: -84.218
Dist. restrs. and SS energy: 4.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1095.481091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.481091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.922609 (E_RNA)
where:
Base-Base interactions energy: -777.517
where: short stacking energy: -320.909
Base-Backbone interact. energy: 7.317
local terms energy: -329.722925
where:
bonds (distance) C4'-P energy: -63.476
bonds (distance) P-C4' energy: -64.559
flat angles C4'-P-C4' energy: -67.614
flat angles P-C4'-P energy: -45.473
tors. eta vs tors. theta energy: -88.600
Dist. restrs. and SS energy: 4.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -985.658125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.658125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.764369 (E_RNA)
where:
Base-Base interactions energy: -685.471
where: short stacking energy: -275.289
Base-Backbone interact. energy: -1.209
local terms energy: -302.084629
where:
bonds (distance) C4'-P energy: -68.487
bonds (distance) P-C4' energy: -62.174
flat angles C4'-P-C4' energy: -66.362
flat angles P-C4'-P energy: -44.100
tors. eta vs tors. theta energy: -60.961
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: 5
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -959.442881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.442881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.579757 (E_RNA)
where:
Base-Base interactions energy: -666.330
where: short stacking energy: -270.519
Base-Backbone interact. energy: 5.439
local terms energy: -301.688834
where:
bonds (distance) C4'-P energy: -67.060
bonds (distance) P-C4' energy: -70.762
flat angles C4'-P-C4' energy: -63.927
flat angles P-C4'-P energy: -38.894
tors. eta vs tors. theta energy: -61.046
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: 8, replica: 8
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1012.658681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.658681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.607473 (E_RNA)
where:
Base-Base interactions energy: -710.790
where: short stacking energy: -281.480
Base-Backbone interact. energy: -2.367
local terms energy: -304.450793
where:
bonds (distance) C4'-P energy: -49.831
bonds (distance) P-C4' energy: -51.837
flat angles C4'-P-C4' energy: -74.221
flat angles P-C4'-P energy: -45.057
tors. eta vs tors. theta energy: -83.505
Dist. restrs. and SS energy: 4.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -866.143074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.143074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.020357 (E_RNA)
where:
Base-Base interactions energy: -620.414
where: short stacking energy: -245.903
Base-Backbone interact. energy: -0.913
local terms energy: -247.693359
where:
bonds (distance) C4'-P energy: -43.921
bonds (distance) P-C4' energy: -59.124
flat angles C4'-P-C4' energy: -56.717
flat angles P-C4'-P energy: -35.188
tors. eta vs tors. theta energy: -52.743
Dist. restrs. and SS energy: 2.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -850.415979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.415979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.176685 (E_RNA)
where:
Base-Base interactions energy: -596.255
where: short stacking energy: -240.100
Base-Backbone interact. energy: -0.469
local terms energy: -263.452863
where:
bonds (distance) C4'-P energy: -57.356
bonds (distance) P-C4' energy: -51.118
flat angles C4'-P-C4' energy: -51.746
flat angles P-C4'-P energy: -43.434
tors. eta vs tors. theta energy: -59.800
Dist. restrs. and SS energy: 9.761 (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: 4
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1240.307784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.307784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.793661 (E_RNA)
where:
Base-Base interactions energy: -870.367
where: short stacking energy: -355.382
Base-Backbone interact. energy: 1.559
local terms energy: -374.984799
where:
bonds (distance) C4'-P energy: -66.407
bonds (distance) P-C4' energy: -75.592
flat angles C4'-P-C4' energy: -81.506
flat angles P-C4'-P energy: -49.097
tors. eta vs tors. theta energy: -102.382
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: 2, replica: 7
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1181.724060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.724060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.547584 (E_RNA)
where:
Base-Base interactions energy: -827.025
where: short stacking energy: -340.871
Base-Backbone interact. energy: -1.385
local terms energy: -358.136993
where:
bonds (distance) C4'-P energy: -65.686
bonds (distance) P-C4' energy: -66.837
flat angles C4'-P-C4' energy: -80.099
flat angles P-C4'-P energy: -46.793
tors. eta vs tors. theta energy: -98.721
Dist. restrs. and SS energy: 4.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1217.852052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.852052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.623965 (E_RNA)
where:
Base-Base interactions energy: -857.576
where: short stacking energy: -351.922
Base-Backbone interact. energy: -4.825
local terms energy: -359.222774
where:
bonds (distance) C4'-P energy: -73.828
bonds (distance) P-C4' energy: -59.797
flat angles C4'-P-C4' energy: -71.778
flat angles P-C4'-P energy: -49.999
tors. eta vs tors. theta energy: -103.820
Dist. restrs. and SS energy: 3.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1105.102565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.102565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.645791 (E_RNA)
where:
Base-Base interactions energy: -771.900
where: short stacking energy: -323.785
Base-Backbone interact. energy: -1.096
local terms energy: -332.649855
where:
bonds (distance) C4'-P energy: -72.181
bonds (distance) P-C4' energy: -57.222
flat angles C4'-P-C4' energy: -62.219
flat angles P-C4'-P energy: -50.270
tors. eta vs tors. theta energy: -90.758
Dist. restrs. and SS energy: 0.543 (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: 6
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1089.080248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.080248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.608817 (E_RNA)
where:
Base-Base interactions energy: -768.023
where: short stacking energy: -337.680
Base-Backbone interact. energy: -0.929
local terms energy: -323.656132
where:
bonds (distance) C4'-P energy: -58.000
bonds (distance) P-C4' energy: -57.215
flat angles C4'-P-C4' energy: -67.125
flat angles P-C4'-P energy: -53.659
tors. eta vs tors. theta energy: -87.657
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: 6, replica: 10
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1031.306257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.306257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.251056 (E_RNA)
where:
Base-Base interactions energy: -721.935
where: short stacking energy: -264.259
Base-Backbone interact. energy: 0.792
local terms energy: -314.108063
where:
bonds (distance) C4'-P energy: -64.170
bonds (distance) P-C4' energy: -60.308
flat angles C4'-P-C4' energy: -69.572
flat angles P-C4'-P energy: -50.263
tors. eta vs tors. theta energy: -69.795
Dist. restrs. and SS energy: 3.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -952.063562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.063562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.426922 (E_RNA)
where:
Base-Base interactions energy: -637.382
where: short stacking energy: -262.431
Base-Backbone interact. energy: -0.012
local terms energy: -317.032804
where:
bonds (distance) C4'-P energy: -62.935
bonds (distance) P-C4' energy: -67.779
flat angles C4'-P-C4' energy: -76.804
flat angles P-C4'-P energy: -41.467
tors. eta vs tors. theta energy: -68.047
Dist. restrs. and SS energy: 2.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -926.400841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.400841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.706225 (E_RNA)
where:
Base-Base interactions energy: -654.008
where: short stacking energy: -258.358
Base-Backbone interact. energy: -1.024
local terms energy: -275.674243
where:
bonds (distance) C4'-P energy: -50.958
bonds (distance) P-C4' energy: -65.851
flat angles C4'-P-C4' energy: -63.192
flat angles P-C4'-P energy: -31.716
tors. eta vs tors. theta energy: -63.957
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: 9, replica: 3
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -892.316560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.316560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.249053 (E_RNA)
where:
Base-Base interactions energy: -610.831
where: short stacking energy: -252.346
Base-Backbone interact. energy: 5.012
local terms energy: -293.430110
where:
bonds (distance) C4'-P energy: -67.992
bonds (distance) P-C4' energy: -61.179
flat angles C4'-P-C4' energy: -66.794
flat angles P-C4'-P energy: -43.432
tors. eta vs tors. theta energy: -54.034
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: 1
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -850.532545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.532545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.808018 (E_RNA)
where:
Base-Base interactions energy: -589.830
where: short stacking energy: -233.896
Base-Backbone interact. energy: -0.623
local terms energy: -267.355169
where:
bonds (distance) C4'-P energy: -50.690
bonds (distance) P-C4' energy: -50.689
flat angles C4'-P-C4' energy: -67.090
flat angles P-C4'-P energy: -38.183
tors. eta vs tors. theta energy: -60.702
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: 4
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1262.983841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.983841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.375944 (E_RNA)
where:
Base-Base interactions energy: -869.652
where: short stacking energy: -342.871
Base-Backbone interact. energy: -1.611
local terms energy: -396.112706
where:
bonds (distance) C4'-P energy: -80.250
bonds (distance) P-C4' energy: -81.385
flat angles C4'-P-C4' energy: -84.249
flat angles P-C4'-P energy: -48.654
tors. eta vs tors. theta energy: -101.574
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: 2, replica: 9
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1245.712130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.712130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.466863 (E_RNA)
where:
Base-Base interactions energy: -860.952
where: short stacking energy: -361.720
Base-Backbone interact. energy: -3.672
local terms energy: -383.843281
where:
bonds (distance) C4'-P energy: -66.667
bonds (distance) P-C4' energy: -73.443
flat angles C4'-P-C4' energy: -80.143
flat angles P-C4'-P energy: -60.907
tors. eta vs tors. theta energy: -102.683
Dist. restrs. and SS energy: 2.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1162.082110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.082110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.349669 (E_RNA)
where:
Base-Base interactions energy: -813.723
where: short stacking energy: -336.189
Base-Backbone interact. energy: 2.665
local terms energy: -355.291974
where:
bonds (distance) C4'-P energy: -68.816
bonds (distance) P-C4' energy: -66.072
flat angles C4'-P-C4' energy: -74.528
flat angles P-C4'-P energy: -49.733
tors. eta vs tors. theta energy: -96.143
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: 4, replica: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1091.986049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.986049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.392918 (E_RNA)
where:
Base-Base interactions energy: -747.550
where: short stacking energy: -298.008
Base-Backbone interact. energy: -1.960
local terms energy: -343.883389
where:
bonds (distance) C4'-P energy: -60.855
bonds (distance) P-C4' energy: -64.634
flat angles C4'-P-C4' energy: -77.098
flat angles P-C4'-P energy: -54.840
tors. eta vs tors. theta energy: -86.456
Dist. restrs. and SS energy: 1.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1078.241031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.241031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.442765 (E_RNA)
where:
Base-Base interactions energy: -757.252
where: short stacking energy: -297.523
Base-Backbone interact. energy: 0.919
local terms energy: -325.110100
where:
bonds (distance) C4'-P energy: -58.433
bonds (distance) P-C4' energy: -65.258
flat angles C4'-P-C4' energy: -64.753
flat angles P-C4'-P energy: -51.699
tors. eta vs tors. theta energy: -84.968
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: 10
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1023.570125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.570125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.276939 (E_RNA)
where:
Base-Base interactions energy: -706.521
where: short stacking energy: -288.190
Base-Backbone interact. energy: -2.103
local terms energy: -320.652681
where:
bonds (distance) C4'-P energy: -59.659
bonds (distance) P-C4' energy: -66.402
flat angles C4'-P-C4' energy: -71.919
flat angles P-C4'-P energy: -44.431
tors. eta vs tors. theta energy: -78.242
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: 7, replica: 8
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1000.011562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.011562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.735293 (E_RNA)
where:
Base-Base interactions energy: -707.435
where: short stacking energy: -279.204
Base-Backbone interact. energy: -1.194
local terms energy: -303.106779
where:
bonds (distance) C4'-P energy: -67.608
bonds (distance) P-C4' energy: -58.235
flat angles C4'-P-C4' energy: -65.339
flat angles P-C4'-P energy: -46.158
tors. eta vs tors. theta energy: -65.768
Dist. restrs. and SS energy: 11.724 (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: 5
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -952.456754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.456754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.562245 (E_RNA)
where:
Base-Base interactions energy: -672.142
where: short stacking energy: -255.732
Base-Backbone interact. energy: -0.033
local terms energy: -285.387552
where:
bonds (distance) C4'-P energy: -61.018
bonds (distance) P-C4' energy: -62.790
flat angles C4'-P-C4' energy: -65.771
flat angles P-C4'-P energy: -43.091
tors. eta vs tors. theta energy: -52.717
Dist. restrs. and SS energy: 5.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -880.825487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.825487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.146802 (E_RNA)
where:
Base-Base interactions energy: -615.477
where: short stacking energy: -229.537
Base-Backbone interact. energy: -1.456
local terms energy: -271.213962
where:
bonds (distance) C4'-P energy: -63.849
bonds (distance) P-C4' energy: -53.904
flat angles C4'-P-C4' energy: -63.792
flat angles P-C4'-P energy: -34.604
tors. eta vs tors. theta energy: -55.066
Dist. restrs. and SS energy: 7.321 (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: 1
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -825.649261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.649261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.542260 (E_RNA)
where:
Base-Base interactions energy: -591.578
where: short stacking energy: -220.432
Base-Backbone interact. energy: -2.499
local terms energy: -238.464963
where:
bonds (distance) C4'-P energy: -52.322
bonds (distance) P-C4' energy: -40.368
flat angles C4'-P-C4' energy: -55.434
flat angles P-C4'-P energy: -42.469
tors. eta vs tors. theta energy: -47.872
Dist. restrs. and SS energy: 6.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1272.518799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.518799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.025238 (E_RNA)
where:
Base-Base interactions energy: -906.496
where: short stacking energy: -365.104
Base-Backbone interact. energy: -2.347
local terms energy: -367.182021
where:
bonds (distance) C4'-P energy: -71.771
bonds (distance) P-C4' energy: -71.262
flat angles C4'-P-C4' energy: -70.594
flat angles P-C4'-P energy: -51.026
tors. eta vs tors. theta energy: -102.529
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: 2, replica: 9
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1229.423825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.423825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.216749 (E_RNA)
where:
Base-Base interactions energy: -859.216
where: short stacking energy: -343.167
Base-Backbone interact. energy: -3.156
local terms energy: -369.843935
where:
bonds (distance) C4'-P energy: -74.567
bonds (distance) P-C4' energy: -72.253
flat angles C4'-P-C4' energy: -79.791
flat angles P-C4'-P energy: -51.992
tors. eta vs tors. theta energy: -91.242
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: 3, replica: 7
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1197.676355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.676355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.427292 (E_RNA)
where:
Base-Base interactions energy: -835.380
where: short stacking energy: -346.831
Base-Backbone interact. energy: 0.246
local terms energy: -366.292533
where:
bonds (distance) C4'-P energy: -56.396
bonds (distance) P-C4' energy: -69.599
flat angles C4'-P-C4' energy: -79.670
flat angles P-C4'-P energy: -60.308
tors. eta vs tors. theta energy: -100.320
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: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1109.471351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.471351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.150046 (E_RNA)
where:
Base-Base interactions energy: -752.358
where: short stacking energy: -307.962
Base-Backbone interact. energy: -0.709
local terms energy: -360.083053
where:
bonds (distance) C4'-P energy: -66.146
bonds (distance) P-C4' energy: -67.448
flat angles C4'-P-C4' energy: -77.950
flat angles P-C4'-P energy: -60.026
tors. eta vs tors. theta energy: -88.514
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: 5, replica: 6
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1069.323079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.323079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.595813 (E_RNA)
where:
Base-Base interactions energy: -735.897
where: short stacking energy: -292.943
Base-Backbone interact. energy: -1.451
local terms energy: -336.247458
where:
bonds (distance) C4'-P energy: -69.669
bonds (distance) P-C4' energy: -60.624
flat angles C4'-P-C4' energy: -79.781
flat angles P-C4'-P energy: -47.837
tors. eta vs tors. theta energy: -78.337
Dist. restrs. and SS energy: 4.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1027.796331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.796331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.477581 (E_RNA)
where:
Base-Base interactions energy: -700.031
where: short stacking energy: -270.859
Base-Backbone interact. energy: -1.954
local terms energy: -328.493045
where:
bonds (distance) C4'-P energy: -69.305
bonds (distance) P-C4' energy: -58.745
flat angles C4'-P-C4' energy: -69.384
flat angles P-C4'-P energy: -51.772
tors. eta vs tors. theta energy: -79.287
Dist. restrs. and SS energy: 2.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -995.550773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.550773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.637807 (E_RNA)
where:
Base-Base interactions energy: -698.305
where: short stacking energy: -275.648
Base-Backbone interact. energy: 0.407
local terms energy: -303.739383
where:
bonds (distance) C4'-P energy: -67.243
bonds (distance) P-C4' energy: -59.962
flat angles C4'-P-C4' energy: -57.082
flat angles P-C4'-P energy: -42.366
tors. eta vs tors. theta energy: -77.086
Dist. restrs. and SS energy: 6.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -941.665519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.665519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.713308 (E_RNA)
where:
Base-Base interactions energy: -665.838
where: short stacking energy: -281.999
Base-Backbone interact. energy: 0.004
local terms energy: -280.878874
where:
bonds (distance) C4'-P energy: -57.731
bonds (distance) P-C4' energy: -56.303
flat angles C4'-P-C4' energy: -64.797
flat angles P-C4'-P energy: -35.391
tors. eta vs tors. theta energy: -66.657
Dist. restrs. and SS energy: 5.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -863.672229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.672229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.275741 (E_RNA)
where:
Base-Base interactions energy: -604.100
where: short stacking energy: -241.138
Base-Backbone interact. energy: -3.008
local terms energy: -263.168327
where:
bonds (distance) C4'-P energy: -42.775
bonds (distance) P-C4' energy: -66.061
flat angles C4'-P-C4' energy: -62.764
flat angles P-C4'-P energy: -38.201
tors. eta vs tors. theta energy: -53.368
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: 1
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -819.351841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.351841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.731388 (E_RNA)
where:
Base-Base interactions energy: -552.576
where: short stacking energy: -221.004
Base-Backbone interact. energy: -1.447
local terms energy: -273.708223
where:
bonds (distance) C4'-P energy: -50.256
bonds (distance) P-C4' energy: -64.744
flat angles C4'-P-C4' energy: -73.296
flat angles P-C4'-P energy: -40.242
tors. eta vs tors. theta energy: -45.171
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: 1, replica: 4
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1260.326646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.326646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.275550 (E_RNA)
where:
Base-Base interactions energy: -865.578
where: short stacking energy: -338.848
Base-Backbone interact. energy: -0.389
local terms energy: -397.308394
where:
bonds (distance) C4'-P energy: -80.550
bonds (distance) P-C4' energy: -75.405
flat angles C4'-P-C4' energy: -82.904
flat angles P-C4'-P energy: -62.865
tors. eta vs tors. theta energy: -95.584
Dist. restrs. and SS energy: 2.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1197.313516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.313516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.240473 (E_RNA)
where:
Base-Base interactions energy: -833.202
where: short stacking energy: -348.673
Base-Backbone interact. energy: -2.494
local terms energy: -364.544603
where:
bonds (distance) C4'-P energy: -54.759
bonds (distance) P-C4' energy: -71.073
flat angles C4'-P-C4' energy: -79.493
flat angles P-C4'-P energy: -57.624
tors. eta vs tors. theta energy: -101.596
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: 3, replica: 9
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -1180.085414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.085414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.520010 (E_RNA)
where:
Base-Base interactions energy: -832.307
where: short stacking energy: -334.580
Base-Backbone interact. energy: -5.614
local terms energy: -345.599495
where:
bonds (distance) C4'-P energy: -61.826
bonds (distance) P-C4' energy: -67.398
flat angles C4'-P-C4' energy: -81.075
flat angles P-C4'-P energy: -46.252
tors. eta vs tors. theta energy: -89.048
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: 4, replica: 6
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1080.133403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.133403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.976227 (E_RNA)
where:
Base-Base interactions energy: -750.513
where: short stacking energy: -311.999
Base-Backbone interact. energy: -2.090
local terms energy: -332.373111
where:
bonds (distance) C4'-P energy: -64.980
bonds (distance) P-C4' energy: -61.396
flat angles C4'-P-C4' energy: -75.391
flat angles P-C4'-P energy: -44.991
tors. eta vs tors. theta energy: -85.615
Dist. restrs. and SS energy: 4.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1063.450387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.450387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.137283 (E_RNA)
where:
Base-Base interactions energy: -736.394
where: short stacking energy: -300.619
Base-Backbone interact. energy: 0.749
local terms energy: -331.492494
where:
bonds (distance) C4'-P energy: -58.477
bonds (distance) P-C4' energy: -73.430
flat angles C4'-P-C4' energy: -75.425
flat angles P-C4'-P energy: -43.820
tors. eta vs tors. theta energy: -80.342
Dist. restrs. and SS energy: 3.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -999.960699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.960699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.863203 (E_RNA)
where:
Base-Base interactions energy: -687.849
where: short stacking energy: -283.307
Base-Backbone interact. energy: -0.027
local terms energy: -317.986995
where:
bonds (distance) C4'-P energy: -68.081
bonds (distance) P-C4' energy: -57.247
flat angles C4'-P-C4' energy: -69.371
flat angles P-C4'-P energy: -49.035
tors. eta vs tors. theta energy: -74.254
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: 7, replica: 8
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -992.095212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.095212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.136673 (E_RNA)
where:
Base-Base interactions energy: -704.008
where: short stacking energy: -282.467
Base-Backbone interact. energy: -2.077
local terms energy: -297.051376
where:
bonds (distance) C4'-P energy: -62.935
bonds (distance) P-C4' energy: -53.808
flat angles C4'-P-C4' energy: -68.009
flat angles P-C4'-P energy: -46.181
tors. eta vs tors. theta energy: -66.118
Dist. restrs. and SS energy: 11.041 (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: 3
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -922.507890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.507890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.455638 (E_RNA)
where:
Base-Base interactions energy: -638.142
where: short stacking energy: -243.828
Base-Backbone interact. energy: -1.327
local terms energy: -286.985867
where:
bonds (distance) C4'-P energy: -58.155
bonds (distance) P-C4' energy: -56.079
flat angles C4'-P-C4' energy: -62.692
flat angles P-C4'-P energy: -49.762
tors. eta vs tors. theta energy: -60.299
Dist. restrs. and SS energy: 3.948 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -888.072313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.072313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.056264 (E_RNA)
where:
Base-Base interactions energy: -602.299
where: short stacking energy: -240.539
Base-Backbone interact. energy: -0.464
local terms energy: -287.293149
where:
bonds (distance) C4'-P energy: -56.904
bonds (distance) P-C4' energy: -53.238
flat angles C4'-P-C4' energy: -68.302
flat angles P-C4'-P energy: -47.435
tors. eta vs tors. theta energy: -61.414
Dist. restrs. and SS energy: 1.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -885.821347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.821347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.644575 (E_RNA)
where:
Base-Base interactions energy: -639.135
where: short stacking energy: -264.521
Base-Backbone interact. energy: -2.626
local terms energy: -258.883471
where:
bonds (distance) C4'-P energy: -55.311
bonds (distance) P-C4' energy: -53.953
flat angles C4'-P-C4' energy: -47.532
flat angles P-C4'-P energy: -37.026
tors. eta vs tors. theta energy: -65.061
Dist. restrs. and SS energy: 14.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1245.258104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.258104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.947761 (E_RNA)
where:
Base-Base interactions energy: -884.831
where: short stacking energy: -358.365
Base-Backbone interact. energy: -2.247
local terms energy: -361.869324
where:
bonds (distance) C4'-P energy: -66.766
bonds (distance) P-C4' energy: -69.059
flat angles C4'-P-C4' energy: -74.986
flat angles P-C4'-P energy: -54.906
tors. eta vs tors. theta energy: -96.152
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: 7
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1202.566771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.566771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.845977 (E_RNA)
where:
Base-Base interactions energy: -842.359
where: short stacking energy: -358.863
Base-Backbone interact. energy: -2.120
local terms energy: -361.366439
where:
bonds (distance) C4'-P energy: -68.994
bonds (distance) P-C4' energy: -65.336
flat angles C4'-P-C4' energy: -72.185
flat angles P-C4'-P energy: -52.777
tors. eta vs tors. theta energy: -102.075
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: 484
Temperature: 1.000000
Total energy: -1182.888498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.888498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.496304 (E_RNA)
where:
Base-Base interactions energy: -836.093
where: short stacking energy: -345.564
Base-Backbone interact. energy: -2.892
local terms energy: -346.511811
where:
bonds (distance) C4'-P energy: -59.378
bonds (distance) P-C4' energy: -62.601
flat angles C4'-P-C4' energy: -79.608
flat angles P-C4'-P energy: -50.528
tors. eta vs tors. theta energy: -94.397
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: 4, replica: 6
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -1118.999385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.999385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.904973 (E_RNA)
where:
Base-Base interactions energy: -769.594
where: short stacking energy: -314.623
Base-Backbone interact. energy: 0.425
local terms energy: -353.736050
where:
bonds (distance) C4'-P energy: -67.182
bonds (distance) P-C4' energy: -68.473
flat angles C4'-P-C4' energy: -77.909
flat angles P-C4'-P energy: -51.931
tors. eta vs tors. theta energy: -88.241
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: 5, replica: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1063.929476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.929476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.614077 (E_RNA)
where:
Base-Base interactions energy: -743.958
where: short stacking energy: -297.163
Base-Backbone interact. energy: 1.209
local terms energy: -322.865424
where:
bonds (distance) C4'-P energy: -68.860
bonds (distance) P-C4' energy: -56.375
flat angles C4'-P-C4' energy: -72.425
flat angles P-C4'-P energy: -43.944
tors. eta vs tors. theta energy: -81.262
Dist. restrs. and SS energy: 1.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -1043.223353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.223353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.334309 (E_RNA)
where:
Base-Base interactions energy: -730.695
where: short stacking energy: -292.852
Base-Backbone interact. energy: 0.344
local terms energy: -316.983336
where:
bonds (distance) C4'-P energy: -64.640
bonds (distance) P-C4' energy: -54.659
flat angles C4'-P-C4' energy: -68.051
flat angles P-C4'-P energy: -50.332
tors. eta vs tors. theta energy: -79.301
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: 7, replica: 8
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -973.939677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.939677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.720128 (E_RNA)
where:
Base-Base interactions energy: -676.583
where: short stacking energy: -283.175
Base-Backbone interact. energy: 1.677
local terms energy: -304.813333
where:
bonds (distance) C4'-P energy: -59.166
bonds (distance) P-C4' energy: -62.001
flat angles C4'-P-C4' energy: -67.273
flat angles P-C4'-P energy: -42.947
tors. eta vs tors. theta energy: -73.426
Dist. restrs. and SS energy: 5.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -944.415115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.415115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.912703 (E_RNA)
where:
Base-Base interactions energy: -672.284
where: short stacking energy: -267.613
Base-Backbone interact. energy: -0.195
local terms energy: -277.434026
where:
bonds (distance) C4'-P energy: -56.671
bonds (distance) P-C4' energy: -55.028
flat angles C4'-P-C4' energy: -65.349
flat angles P-C4'-P energy: -34.469
tors. eta vs tors. theta energy: -65.917
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: 9, replica: 5
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -869.910868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.910868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.320329 (E_RNA)
where:
Base-Base interactions energy: -619.842
where: short stacking energy: -234.857
Base-Backbone interact. energy: -0.365
local terms energy: -256.113191
where:
bonds (distance) C4'-P energy: -63.146
bonds (distance) P-C4' energy: -53.547
flat angles C4'-P-C4' energy: -56.480
flat angles P-C4'-P energy: -33.193
tors. eta vs tors. theta energy: -49.747
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: 10, replica: 1
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -881.512317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.512317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.117513 (E_RNA)
where:
Base-Base interactions energy: -611.053
where: short stacking energy: -236.707
Base-Backbone interact. energy: 3.757
local terms energy: -281.821496
where:
bonds (distance) C4'-P energy: -58.061
bonds (distance) P-C4' energy: -62.510
flat angles C4'-P-C4' energy: -72.978
flat angles P-C4'-P energy: -42.068
tors. eta vs tors. theta energy: -46.204
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: 1, replica: 4
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1264.623054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.623054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.961068 (E_RNA)
where:
Base-Base interactions energy: -879.814
where: short stacking energy: -362.797
Base-Backbone interact. energy: -2.490
local terms energy: -386.656982
where:
bonds (distance) C4'-P energy: -66.086
bonds (distance) P-C4' energy: -71.076
flat angles C4'-P-C4' energy: -80.352
flat angles P-C4'-P energy: -57.098
tors. eta vs tors. theta energy: -112.045
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: 2, replica: 7
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1230.263422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.263422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.674102 (E_RNA)
where:
Base-Base interactions energy: -857.532
where: short stacking energy: -349.317
Base-Backbone interact. energy: -2.231
local terms energy: -373.910153
where:
bonds (distance) C4'-P energy: -63.468
bonds (distance) P-C4' energy: -75.857
flat angles C4'-P-C4' energy: -78.957
flat angles P-C4'-P energy: -56.732
tors. eta vs tors. theta energy: -98.896
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: 3, replica: 9
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1176.865645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.865645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.178577 (E_RNA)
where:
Base-Base interactions energy: -814.021
where: short stacking energy: -340.037
Base-Backbone interact. energy: -3.221
local terms energy: -362.936739
where:
bonds (distance) C4'-P energy: -64.519
bonds (distance) P-C4' energy: -72.415
flat angles C4'-P-C4' energy: -75.399
flat angles P-C4'-P energy: -50.659
tors. eta vs tors. theta energy: -99.944
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: 4, replica: 6
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1076.733218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.733218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.708850 (E_RNA)
where:
Base-Base interactions energy: -747.718
where: short stacking energy: -306.140
Base-Backbone interact. energy: 1.240
local terms energy: -335.231261
where:
bonds (distance) C4'-P energy: -68.930
bonds (distance) P-C4' energy: -64.493
flat angles C4'-P-C4' energy: -66.151
flat angles P-C4'-P energy: -56.143
tors. eta vs tors. theta energy: -79.515
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: 5, replica: 10
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1023.949980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.949980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.519371 (E_RNA)
where:
Base-Base interactions energy: -702.518
where: short stacking energy: -282.461
Base-Backbone interact. energy: -0.882
local terms energy: -322.119534
where:
bonds (distance) C4'-P energy: -68.815
bonds (distance) P-C4' energy: -63.567
flat angles C4'-P-C4' energy: -71.814
flat angles P-C4'-P energy: -42.505
tors. eta vs tors. theta energy: -75.419
Dist. restrs. and SS energy: 1.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1061.966007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.966007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.764240 (E_RNA)
where:
Base-Base interactions energy: -738.129
where: short stacking energy: -297.191
Base-Backbone interact. energy: -1.670
local terms energy: -325.964483
where:
bonds (distance) C4'-P energy: -61.568
bonds (distance) P-C4' energy: -62.702
flat angles C4'-P-C4' energy: -63.072
flat angles P-C4'-P energy: -56.227
tors. eta vs tors. theta energy: -82.395
Dist. restrs. and SS energy: 3.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -947.857470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.857470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.223646 (E_RNA)
where:
Base-Base interactions energy: -644.208
where: short stacking energy: -251.758
Base-Backbone interact. energy: -1.828
local terms energy: -310.188025
where:
bonds (distance) C4'-P energy: -62.944
bonds (distance) P-C4' energy: -73.855
flat angles C4'-P-C4' energy: -64.118
flat angles P-C4'-P energy: -37.785
tors. eta vs tors. theta energy: -71.485
Dist. restrs. and SS energy: 8.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -937.617647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.617647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.355507 (E_RNA)
where:
Base-Base interactions energy: -638.367
where: short stacking energy: -266.553
Base-Backbone interact. energy: -0.313
local terms energy: -302.675701
where:
bonds (distance) C4'-P energy: -57.162
bonds (distance) P-C4' energy: -68.063
flat angles C4'-P-C4' energy: -67.801
flat angles P-C4'-P energy: -41.584
tors. eta vs tors. theta energy: -68.065
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: 9, replica: 5
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -940.109887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.109887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.032441 (E_RNA)
where:
Base-Base interactions energy: -667.385
where: short stacking energy: -251.760
Base-Backbone interact. energy: -2.687
local terms energy: -270.960054
where:
bonds (distance) C4'-P energy: -54.875
bonds (distance) P-C4' energy: -51.984
flat angles C4'-P-C4' energy: -56.939
flat angles P-C4'-P energy: -48.143
tors. eta vs tors. theta energy: -59.018
Dist. restrs. and SS energy: 0.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -867.783795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.783795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.793656 (E_RNA)
where:
Base-Base interactions energy: -585.342
where: short stacking energy: -234.527
Base-Backbone interact. energy: -1.713
local terms energy: -288.738683
where:
bonds (distance) C4'-P energy: -60.194
bonds (distance) P-C4' energy: -58.716
flat angles C4'-P-C4' energy: -60.057
flat angles P-C4'-P energy: -48.456
tors. eta vs tors. theta energy: -61.315
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: 4
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1254.845279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.845279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.585054 (E_RNA)
where:
Base-Base interactions energy: -881.302
where: short stacking energy: -356.108
Base-Backbone interact. energy: 1.159
local terms energy: -377.442481
where:
bonds (distance) C4'-P energy: -65.809
bonds (distance) P-C4' energy: -72.357
flat angles C4'-P-C4' energy: -78.933
flat angles P-C4'-P energy: -55.308
tors. eta vs tors. theta energy: -105.036
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: 2, replica: 7
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1169.944313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.944313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.487224 (E_RNA)
where:
Base-Base interactions energy: -822.077
where: short stacking energy: -355.177
Base-Backbone interact. energy: 1.419
local terms energy: -352.828942
where:
bonds (distance) C4'-P energy: -62.494
bonds (distance) P-C4' energy: -67.968
flat angles C4'-P-C4' energy: -78.574
flat angles P-C4'-P energy: -43.163
tors. eta vs tors. theta energy: -100.631
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: 3, replica: 9
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1183.771716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.771716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.781015 (E_RNA)
where:
Base-Base interactions energy: -840.929
where: short stacking energy: -338.048
Base-Backbone interact. energy: -1.022
local terms energy: -344.830035
where:
bonds (distance) C4'-P energy: -62.737
bonds (distance) P-C4' energy: -71.153
flat angles C4'-P-C4' energy: -62.927
flat angles P-C4'-P energy: -53.593
tors. eta vs tors. theta energy: -94.420
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: 4, replica: 6
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1100.291539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.291539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.764122 (E_RNA)
where:
Base-Base interactions energy: -770.706
where: short stacking energy: -318.790
Base-Backbone interact. energy: -1.524
local terms energy: -336.534362
where:
bonds (distance) C4'-P energy: -62.691
bonds (distance) P-C4' energy: -65.818
flat angles C4'-P-C4' energy: -69.411
flat angles P-C4'-P energy: -51.119
tors. eta vs tors. theta energy: -87.495
Dist. restrs. and SS energy: 8.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -1060.792409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.792409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.927484 (E_RNA)
where:
Base-Base interactions energy: -753.877
where: short stacking energy: -297.828
Base-Backbone interact. energy: -2.284
local terms energy: -308.766552
where:
bonds (distance) C4'-P energy: -58.915
bonds (distance) P-C4' energy: -53.338
flat angles C4'-P-C4' energy: -68.567
flat angles P-C4'-P energy: -53.410
tors. eta vs tors. theta energy: -74.537
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: 6, replica: 10
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1015.025032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.025032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.470286 (E_RNA)
where:
Base-Base interactions energy: -693.059
where: short stacking energy: -285.750
Base-Backbone interact. energy: -0.817
local terms energy: -322.594266
where:
bonds (distance) C4'-P energy: -60.909
bonds (distance) P-C4' energy: -65.075
flat angles C4'-P-C4' energy: -74.227
flat angles P-C4'-P energy: -42.465
tors. eta vs tors. theta energy: -79.918
Dist. restrs. and SS energy: 1.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -956.941342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.941342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.555295 (E_RNA)
where:
Base-Base interactions energy: -658.458
where: short stacking energy: -273.819
Base-Backbone interact. energy: -0.901
local terms energy: -306.195937
where:
bonds (distance) C4'-P energy: -52.726
bonds (distance) P-C4' energy: -60.282
flat angles C4'-P-C4' energy: -77.395
flat angles P-C4'-P energy: -43.714
tors. eta vs tors. theta energy: -72.080
Dist. restrs. and SS energy: 8.614 (S_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: 486
Temperature: 1.250000
Total energy: -904.423105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.423105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.685919 (E_RNA)
where:
Base-Base interactions energy: -639.836
where: short stacking energy: -246.158
Base-Backbone interact. energy: 2.277
local terms energy: -272.127206
where:
bonds (distance) C4'-P energy: -59.816
bonds (distance) P-C4' energy: -61.942
flat angles C4'-P-C4' energy: -54.796
flat angles P-C4'-P energy: -38.281
tors. eta vs tors. theta energy: -57.293
Dist. restrs. and SS energy: 5.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -933.688310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.688310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.970183 (E_RNA)
where:
Base-Base interactions energy: -650.347
where: short stacking energy: -251.111
Base-Backbone interact. energy: -2.314
local terms energy: -282.309076
where:
bonds (distance) C4'-P energy: -67.319
bonds (distance) P-C4' energy: -54.997
flat angles C4'-P-C4' energy: -65.096
flat angles P-C4'-P energy: -41.247
tors. eta vs tors. theta energy: -53.651
Dist. restrs. and SS energy: 1.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -862.757339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.757339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.905329 (E_RNA)
where:
Base-Base interactions energy: -607.917
where: short stacking energy: -243.676
Base-Backbone interact. energy: -3.759
local terms energy: -260.229049
where:
bonds (distance) C4'-P energy: -59.700
bonds (distance) P-C4' energy: -53.940
flat angles C4'-P-C4' energy: -52.218
flat angles P-C4'-P energy: -33.969
tors. eta vs tors. theta energy: -60.402
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: 4
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1247.462800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.462800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.995882 (E_RNA)
where:
Base-Base interactions energy: -877.455
where: short stacking energy: -363.540
Base-Backbone interact. energy: 0.373
local terms energy: -373.914387
where:
bonds (distance) C4'-P energy: -62.341
bonds (distance) P-C4' energy: -67.990
flat angles C4'-P-C4' energy: -83.165
flat angles P-C4'-P energy: -56.758
tors. eta vs tors. theta energy: -103.660
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: 2, replica: 7
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1197.174850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.174850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.331224 (E_RNA)
where:
Base-Base interactions energy: -843.032
where: short stacking energy: -366.066
Base-Backbone interact. energy: -0.185
local terms energy: -358.114012
where:
bonds (distance) C4'-P energy: -61.743
bonds (distance) P-C4' energy: -70.592
flat angles C4'-P-C4' energy: -78.511
flat angles P-C4'-P energy: -48.303
tors. eta vs tors. theta energy: -98.965
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: 9
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1180.114157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.114157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.299542 (E_RNA)
where:
Base-Base interactions energy: -853.447
where: short stacking energy: -333.921
Base-Backbone interact. energy: -2.065
local terms energy: -326.787524
where:
bonds (distance) C4'-P energy: -48.294
bonds (distance) P-C4' energy: -63.447
flat angles C4'-P-C4' energy: -71.827
flat angles P-C4'-P energy: -51.990
tors. eta vs tors. theta energy: -91.230
Dist. restrs. and SS energy: 2.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -1101.730450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.730450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.026676 (E_RNA)
where:
Base-Base interactions energy: -760.359
where: short stacking energy: -325.832
Base-Backbone interact. energy: 0.162
local terms energy: -344.829496
where:
bonds (distance) C4'-P energy: -68.528
bonds (distance) P-C4' energy: -62.172
flat angles C4'-P-C4' energy: -75.213
flat angles P-C4'-P energy: -48.424
tors. eta vs tors. theta energy: -90.493
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: 5, replica: 6
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1069.126478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.126478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.804507 (E_RNA)
where:
Base-Base interactions energy: -721.881
where: short stacking energy: -292.411
Base-Backbone interact. energy: -0.697
local terms energy: -350.227118
where:
bonds (distance) C4'-P energy: -59.979
bonds (distance) P-C4' energy: -75.064
flat angles C4'-P-C4' energy: -78.271
flat angles P-C4'-P energy: -49.584
tors. eta vs tors. theta energy: -87.330
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: 6, replica: 10
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1009.136698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.136698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.367608 (E_RNA)
where:
Base-Base interactions energy: -695.671
where: short stacking energy: -280.614
Base-Backbone interact. energy: -0.387
local terms energy: -314.309495
where:
bonds (distance) C4'-P energy: -67.841
bonds (distance) P-C4' energy: -64.879
flat angles C4'-P-C4' energy: -72.273
flat angles P-C4'-P energy: -39.707
tors. eta vs tors. theta energy: -69.609
Dist. restrs. and SS energy: 1.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1000.252226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.252226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.742202 (E_RNA)
where:
Base-Base interactions energy: -688.123
where: short stacking energy: -283.958
Base-Backbone interact. energy: -1.136
local terms energy: -314.483315
where:
bonds (distance) C4'-P energy: -68.086
bonds (distance) P-C4' energy: -61.346
flat angles C4'-P-C4' energy: -61.415
flat angles P-C4'-P energy: -46.485
tors. eta vs tors. theta energy: -77.152
Dist. restrs. and SS energy: 3.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -930.077500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.077500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.596904 (E_RNA)
where:
Base-Base interactions energy: -637.457
where: short stacking energy: -240.809
Base-Backbone interact. energy: 3.899
local terms energy: -306.038859
where:
bonds (distance) C4'-P energy: -62.749
bonds (distance) P-C4' energy: -72.968
flat angles C4'-P-C4' energy: -68.376
flat angles P-C4'-P energy: -35.622
tors. eta vs tors. theta energy: -66.324
Dist. restrs. and SS energy: 9.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -867.462206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.462206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.921103 (E_RNA)
where:
Base-Base interactions energy: -608.520
where: short stacking energy: -242.218
Base-Backbone interact. energy: -1.065
local terms energy: -264.336210
where:
bonds (distance) C4'-P energy: -54.748
bonds (distance) P-C4' energy: -64.994
flat angles C4'-P-C4' energy: -50.813
flat angles P-C4'-P energy: -35.674
tors. eta vs tors. theta energy: -58.106
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: 10, replica: 1
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -851.816118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.816118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.098234 (E_RNA)
where:
Base-Base interactions energy: -595.398
where: short stacking energy: -227.555
Base-Backbone interact. energy: 1.772
local terms energy: -260.472628
where:
bonds (distance) C4'-P energy: -59.172
bonds (distance) P-C4' energy: -57.978
flat angles C4'-P-C4' energy: -44.255
flat angles P-C4'-P energy: -42.549
tors. eta vs tors. theta energy: -56.518
Dist. restrs. and SS energy: 2.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1260.241521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.241521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.349783 (E_RNA)
where:
Base-Base interactions energy: -883.760
where: short stacking energy: -375.703
Base-Backbone interact. energy: -1.408
local terms energy: -378.181553
where:
bonds (distance) C4'-P energy: -75.676
bonds (distance) P-C4' energy: -69.700
flat angles C4'-P-C4' energy: -75.847
flat angles P-C4'-P energy: -51.975
tors. eta vs tors. theta energy: -104.984
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: 2, replica: 7
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1214.240055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.240055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.316315 (E_RNA)
where:
Base-Base interactions energy: -841.845
where: short stacking energy: -363.286
Base-Backbone interact. energy: 0.241
local terms energy: -376.712243
where:
bonds (distance) C4'-P energy: -70.803
bonds (distance) P-C4' energy: -75.896
flat angles C4'-P-C4' energy: -70.880
flat angles P-C4'-P energy: -56.678
tors. eta vs tors. theta energy: -102.455
Dist. restrs. and SS energy: 4.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1180.452430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.452430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.225586 (E_RNA)
where:
Base-Base interactions energy: -823.205
where: short stacking energy: -338.834
Base-Backbone interact. energy: -1.990
local terms energy: -358.030606
where:
bonds (distance) C4'-P energy: -63.312
bonds (distance) P-C4' energy: -65.317
flat angles C4'-P-C4' energy: -76.132
flat angles P-C4'-P energy: -55.814
tors. eta vs tors. theta energy: -97.456
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: 4, replica: 2
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1097.852533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.852533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.952818 (E_RNA)
where:
Base-Base interactions energy: -780.507
where: short stacking energy: -323.652
Base-Backbone interact. energy: -1.057
local terms energy: -321.388707
where:
bonds (distance) C4'-P energy: -64.427
bonds (distance) P-C4' energy: -53.246
flat angles C4'-P-C4' energy: -70.165
flat angles P-C4'-P energy: -42.752
tors. eta vs tors. theta energy: -90.798
Dist. restrs. and SS energy: 5.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1076.525324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.525324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.239553 (E_RNA)
where:
Base-Base interactions energy: -732.920
where: short stacking energy: -299.428
Base-Backbone interact. energy: -1.811
local terms energy: -344.508765
where:
bonds (distance) C4'-P energy: -63.361
bonds (distance) P-C4' energy: -70.475
flat angles C4'-P-C4' energy: -69.737
flat angles P-C4'-P energy: -53.645
tors. eta vs tors. theta energy: -87.290
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: 6, replica: 10
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1024.473750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.473750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.834299 (E_RNA)
where:
Base-Base interactions energy: -700.633
where: short stacking energy: -289.490
Base-Backbone interact. energy: 0.920
local terms energy: -330.121752
where:
bonds (distance) C4'-P energy: -63.339
bonds (distance) P-C4' energy: -69.216
flat angles C4'-P-C4' energy: -70.930
flat angles P-C4'-P energy: -44.342
tors. eta vs tors. theta energy: -82.295
Dist. restrs. and SS energy: 5.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -970.545659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.545659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.326909 (E_RNA)
where:
Base-Base interactions energy: -687.666
where: short stacking energy: -285.865
Base-Backbone interact. energy: -1.304
local terms energy: -288.357056
where:
bonds (distance) C4'-P energy: -41.777
bonds (distance) P-C4' energy: -66.005
flat angles C4'-P-C4' energy: -58.082
flat angles P-C4'-P energy: -47.275
tors. eta vs tors. theta energy: -75.218
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: 8, replica: 5
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -954.765240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.765240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.922231 (E_RNA)
where:
Base-Base interactions energy: -679.834
where: short stacking energy: -275.306
Base-Backbone interact. energy: -1.938
local terms energy: -276.150645
where:
bonds (distance) C4'-P energy: -62.343
bonds (distance) P-C4' energy: -48.383
flat angles C4'-P-C4' energy: -54.740
flat angles P-C4'-P energy: -34.728
tors. eta vs tors. theta energy: -75.957
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: 9, replica: 1
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -906.792456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.792456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.209364 (E_RNA)
where:
Base-Base interactions energy: -615.818
where: short stacking energy: -247.431
Base-Backbone interact. energy: -1.068
local terms energy: -294.323056
where:
bonds (distance) C4'-P energy: -55.298
bonds (distance) P-C4' energy: -62.004
flat angles C4'-P-C4' energy: -63.792
flat angles P-C4'-P energy: -41.652
tors. eta vs tors. theta energy: -71.577
Dist. restrs. and SS energy: 4.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -869.324512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.324512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.979315 (E_RNA)
where:
Base-Base interactions energy: -610.305
where: short stacking energy: -229.682
Base-Backbone interact. energy: -3.011
local terms energy: -256.663306
where:
bonds (distance) C4'-P energy: -39.586
bonds (distance) P-C4' energy: -63.387
flat angles C4'-P-C4' energy: -68.447
flat angles P-C4'-P energy: -31.327
tors. eta vs tors. theta energy: -53.918
Dist. restrs. and SS energy: 0.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1284.426816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.426816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.657339 (E_RNA)
where:
Base-Base interactions energy: -897.481
where: short stacking energy: -370.174
Base-Backbone interact. energy: -2.763
local terms energy: -388.412986
where:
bonds (distance) C4'-P energy: -73.812
bonds (distance) P-C4' energy: -69.948
flat angles C4'-P-C4' energy: -83.162
flat angles P-C4'-P energy: -51.647
tors. eta vs tors. theta energy: -109.845
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: 2, replica: 9
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1213.156903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.156903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.229046 (E_RNA)
where:
Base-Base interactions energy: -866.387
where: short stacking energy: -341.825
Base-Backbone interact. energy: -4.615
local terms energy: -344.227194
where:
bonds (distance) C4'-P energy: -67.246
bonds (distance) P-C4' energy: -67.013
flat angles C4'-P-C4' energy: -66.313
flat angles P-C4'-P energy: -46.501
tors. eta vs tors. theta energy: -97.153
Dist. restrs. and SS energy: 2.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1175.266171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.266171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.757053 (E_RNA)
where:
Base-Base interactions energy: -829.928
where: short stacking energy: -352.712
Base-Backbone interact. energy: 4.710
local terms energy: -353.539540
where:
bonds (distance) C4'-P energy: -62.297
bonds (distance) P-C4' energy: -63.679
flat angles C4'-P-C4' energy: -78.373
flat angles P-C4'-P energy: -55.113
tors. eta vs tors. theta energy: -94.078
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: 4, replica: 2
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1110.532538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.532538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.981819 (E_RNA)
where:
Base-Base interactions energy: -769.480
where: short stacking energy: -329.193
Base-Backbone interact. energy: -0.207
local terms energy: -345.294189
where:
bonds (distance) C4'-P energy: -66.531
bonds (distance) P-C4' energy: -65.461
flat angles C4'-P-C4' energy: -78.300
flat angles P-C4'-P energy: -48.028
tors. eta vs tors. theta energy: -86.974
Dist. restrs. and SS energy: 4.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1072.550000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.550000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.633371 (E_RNA)
where:
Base-Base interactions energy: -753.619
where: short stacking energy: -299.012
Base-Backbone interact. energy: -1.565
local terms energy: -323.449776
where:
bonds (distance) C4'-P energy: -62.472
bonds (distance) P-C4' energy: -59.356
flat angles C4'-P-C4' energy: -68.393
flat angles P-C4'-P energy: -46.742
tors. eta vs tors. theta energy: -86.487
Dist. restrs. and SS energy: 6.083 (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: 8
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1003.642209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.642209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.806380 (E_RNA)
where:
Base-Base interactions energy: -695.807
where: short stacking energy: -285.830
Base-Backbone interact. energy: -2.798
local terms energy: -309.201983
where:
bonds (distance) C4'-P energy: -49.996
bonds (distance) P-C4' energy: -71.061
flat angles C4'-P-C4' energy: -68.292
flat angles P-C4'-P energy: -43.727
tors. eta vs tors. theta energy: -76.125
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: 7, replica: 10
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -989.467023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.467023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.098201 (E_RNA)
where:
Base-Base interactions energy: -674.639
where: short stacking energy: -289.763
Base-Backbone interact. energy: 2.163
local terms energy: -321.622437
where:
bonds (distance) C4'-P energy: -62.298
bonds (distance) P-C4' energy: -63.632
flat angles C4'-P-C4' energy: -69.844
flat angles P-C4'-P energy: -43.948
tors. eta vs tors. theta energy: -81.900
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: 5
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -928.104542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.104542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.971421 (E_RNA)
where:
Base-Base interactions energy: -651.169
where: short stacking energy: -244.752
Base-Backbone interact. energy: -2.551
local terms energy: -278.251830
where:
bonds (distance) C4'-P energy: -50.964
bonds (distance) P-C4' energy: -60.403
flat angles C4'-P-C4' energy: -58.974
flat angles P-C4'-P energy: -42.119
tors. eta vs tors. theta energy: -65.791
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: 9, replica: 1
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -871.405688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.405688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.083085 (E_RNA)
where:
Base-Base interactions energy: -603.456
where: short stacking energy: -232.520
Base-Backbone interact. energy: -0.758
local terms energy: -272.869831
where:
bonds (distance) C4'-P energy: -46.452
bonds (distance) P-C4' energy: -66.056
flat angles C4'-P-C4' energy: -67.993
flat angles P-C4'-P energy: -44.794
tors. eta vs tors. theta energy: -47.575
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: 3
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -870.672825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.672825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.865767 (E_RNA)
where:
Base-Base interactions energy: -592.300
where: short stacking energy: -234.448
Base-Backbone interact. energy: -0.820
local terms energy: -282.746046
where:
bonds (distance) C4'-P energy: -65.266
bonds (distance) P-C4' energy: -51.873
flat angles C4'-P-C4' energy: -63.671
flat angles P-C4'-P energy: -47.556
tors. eta vs tors. theta energy: -54.380
Dist. restrs. and SS energy: 5.193 (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: 490
Temperature: 0.900000
Total energy: -1268.229294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.229294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.921446 (E_RNA)
where:
Base-Base interactions energy: -886.086
where: short stacking energy: -357.188
Base-Backbone interact. energy: -1.926
local terms energy: -382.909348
where:
bonds (distance) C4'-P energy: -76.058
bonds (distance) P-C4' energy: -69.260
flat angles C4'-P-C4' energy: -74.879
flat angles P-C4'-P energy: -60.360
tors. eta vs tors. theta energy: -102.352
Dist. restrs. and SS energy: 2.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1210.072176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.072176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.690775 (E_RNA)
where:
Base-Base interactions energy: -847.921
where: short stacking energy: -354.047
Base-Backbone interact. energy: -3.398
local terms energy: -361.371738
where:
bonds (distance) C4'-P energy: -66.498
bonds (distance) P-C4' energy: -68.386
flat angles C4'-P-C4' energy: -73.132
flat angles P-C4'-P energy: -51.483
tors. eta vs tors. theta energy: -101.872
Dist. restrs. and SS energy: 2.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -1216.580200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.580200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.577321 (E_RNA)
where:
Base-Base interactions energy: -860.802
where: short stacking energy: -363.787
Base-Backbone interact. energy: -0.940
local terms energy: -357.835091
where:
bonds (distance) C4'-P energy: -71.112
bonds (distance) P-C4' energy: -66.801
flat angles C4'-P-C4' energy: -71.606
flat angles P-C4'-P energy: -44.893
tors. eta vs tors. theta energy: -103.422
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: 2
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -1130.382421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.382421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.310617 (E_RNA)
where:
Base-Base interactions energy: -789.274
where: short stacking energy: -333.400
Base-Backbone interact. energy: -0.728
local terms energy: -344.309251
where:
bonds (distance) C4'-P energy: -60.197
bonds (distance) P-C4' energy: -70.705
flat angles C4'-P-C4' energy: -73.203
flat angles P-C4'-P energy: -42.926
tors. eta vs tors. theta energy: -97.278
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: 5, replica: 8
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -1002.434127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.434127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.811324 (E_RNA)
where:
Base-Base interactions energy: -694.507
where: short stacking energy: -281.034
Base-Backbone interact. energy: -0.610
local terms energy: -312.693676
where:
bonds (distance) C4'-P energy: -60.590
bonds (distance) P-C4' energy: -70.983
flat angles C4'-P-C4' energy: -63.556
flat angles P-C4'-P energy: -42.632
tors. eta vs tors. theta energy: -74.932
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: 6, replica: 6
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1069.448295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.448295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.897598 (E_RNA)
where:
Base-Base interactions energy: -760.629
where: short stacking energy: -321.554
Base-Backbone interact. energy: 0.254
local terms energy: -313.521886
where:
bonds (distance) C4'-P energy: -58.135
bonds (distance) P-C4' energy: -59.850
flat angles C4'-P-C4' energy: -70.651
flat angles P-C4'-P energy: -45.539
tors. eta vs tors. theta energy: -79.348
Dist. restrs. and SS energy: 4.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -981.658069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.658069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.691415 (E_RNA)
where:
Base-Base interactions energy: -689.385
where: short stacking energy: -257.025
Base-Backbone interact. energy: -1.074
local terms energy: -292.232595
where:
bonds (distance) C4'-P energy: -60.716
bonds (distance) P-C4' energy: -63.408
flat angles C4'-P-C4' energy: -65.132
flat angles P-C4'-P energy: -37.754
tors. eta vs tors. theta energy: -65.223
Dist. restrs. and SS energy: 1.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -929.071498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.071498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.142356 (E_RNA)
where:
Base-Base interactions energy: -652.452
where: short stacking energy: -258.134
Base-Backbone interact. energy: -1.630
local terms energy: -278.060532
where:
bonds (distance) C4'-P energy: -49.977
bonds (distance) P-C4' energy: -56.534
flat angles C4'-P-C4' energy: -67.236
flat angles P-C4'-P energy: -41.384
tors. eta vs tors. theta energy: -62.929
Dist. restrs. and SS energy: 3.071 (S_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: 490
Temperature: 1.300000
Total energy: -890.356901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.356901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.336727 (E_RNA)
where:
Base-Base interactions energy: -628.298
where: short stacking energy: -245.811
Base-Backbone interact. energy: -2.085
local terms energy: -263.954144
where:
bonds (distance) C4'-P energy: -66.189
bonds (distance) P-C4' energy: -47.001
flat angles C4'-P-C4' energy: -57.504
flat angles P-C4'-P energy: -39.407
tors. eta vs tors. theta energy: -53.853
Dist. restrs. and SS energy: 3.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -852.060414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.060414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.948495 (E_RNA)
where:
Base-Base interactions energy: -630.600
where: short stacking energy: -250.837
Base-Backbone interact. energy: 0.544
local terms energy: -237.892160
where:
bonds (distance) C4'-P energy: -39.949
bonds (distance) P-C4' energy: -46.929
flat angles C4'-P-C4' energy: -61.458
flat angles P-C4'-P energy: -28.159
tors. eta vs tors. theta energy: -61.397
Dist. restrs. and SS energy: 15.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1242.710194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.710194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.782603 (E_RNA)
where:
Base-Base interactions energy: -879.017
where: short stacking energy: -349.427
Base-Backbone interact. energy: -1.601
local terms energy: -366.164856
where:
bonds (distance) C4'-P energy: -68.617
bonds (distance) P-C4' energy: -74.262
flat angles C4'-P-C4' energy: -72.890
flat angles P-C4'-P energy: -53.114
tors. eta vs tors. theta energy: -97.282
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: 2, replica: 9
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -1224.687079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.687079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.596050 (E_RNA)
where:
Base-Base interactions energy: -858.453
where: short stacking energy: -353.351
Base-Backbone interact. energy: -5.171
local terms energy: -363.972679
where:
bonds (distance) C4'-P energy: -60.117
bonds (distance) P-C4' energy: -65.630
flat angles C4'-P-C4' energy: -76.168
flat angles P-C4'-P energy: -54.104
tors. eta vs tors. theta energy: -107.955
Dist. restrs. and SS energy: 2.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -1198.984532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.984532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.191132 (E_RNA)
where:
Base-Base interactions energy: -840.456
where: short stacking energy: -349.318
Base-Backbone interact. energy: -1.709
local terms energy: -361.025974
where:
bonds (distance) C4'-P energy: -61.881
bonds (distance) P-C4' energy: -68.094
flat angles C4'-P-C4' energy: -77.677
flat angles P-C4'-P energy: -51.452
tors. eta vs tors. theta energy: -101.922
Dist. restrs. and SS energy: 4.207 (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: 491
Temperature: 1.050000
Total energy: -1134.478316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.478316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.024677 (E_RNA)
where:
Base-Base interactions energy: -800.313
where: short stacking energy: -331.053
Base-Backbone interact. energy: -1.918
local terms energy: -336.793578
where:
bonds (distance) C4'-P energy: -63.921
bonds (distance) P-C4' energy: -62.585
flat angles C4'-P-C4' energy: -70.175
flat angles P-C4'-P energy: -49.010
tors. eta vs tors. theta energy: -91.102
Dist. restrs. and SS energy: 4.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -1032.372274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.372274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.319359 (E_RNA)
where:
Base-Base interactions energy: -725.968
where: short stacking energy: -276.925
Base-Backbone interact. energy: -0.116
local terms energy: -315.235732
where:
bonds (distance) C4'-P energy: -64.113
bonds (distance) P-C4' energy: -69.671
flat angles C4'-P-C4' energy: -72.050
flat angles P-C4'-P energy: -41.589
tors. eta vs tors. theta energy: -67.813
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: 6, replica: 6
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -1040.496918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.496918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.305882 (E_RNA)
where:
Base-Base interactions energy: -732.593
where: short stacking energy: -291.282
Base-Backbone interact. energy: -1.001
local terms energy: -310.711975
where:
bonds (distance) C4'-P energy: -54.036
bonds (distance) P-C4' energy: -66.209
flat angles C4'-P-C4' energy: -71.655
flat angles P-C4'-P energy: -36.208
tors. eta vs tors. theta energy: -82.604
Dist. restrs. and SS energy: 3.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -971.765818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.765818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.556217 (E_RNA)
where:
Base-Base interactions energy: -687.229
where: short stacking energy: -266.586
Base-Backbone interact. energy: -0.796
local terms energy: -284.530993
where:
bonds (distance) C4'-P energy: -53.684
bonds (distance) P-C4' energy: -66.887
flat angles C4'-P-C4' energy: -56.113
flat angles P-C4'-P energy: -44.683
tors. eta vs tors. theta energy: -63.165
Dist. restrs. and SS energy: 0.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -950.069933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.069933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.227100 (E_RNA)
where:
Base-Base interactions energy: -659.934
where: short stacking energy: -266.018
Base-Backbone interact. energy: -1.627
local terms energy: -294.665909
where:
bonds (distance) C4'-P energy: -53.836
bonds (distance) P-C4' energy: -61.735
flat angles C4'-P-C4' energy: -64.625
flat angles P-C4'-P energy: -44.574
tors. eta vs tors. theta energy: -69.896
Dist. restrs. and SS energy: 6.157 (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: 3
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -873.294712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.294712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.774311 (E_RNA)
where:
Base-Base interactions energy: -617.305
where: short stacking energy: -241.425
Base-Backbone interact. energy: -0.785
local terms energy: -260.684296
where:
bonds (distance) C4'-P energy: -43.717
bonds (distance) P-C4' energy: -65.831
flat angles C4'-P-C4' energy: -67.957
flat angles P-C4'-P energy: -33.263
tors. eta vs tors. theta energy: -49.916
Dist. restrs. and SS energy: 5.480 (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: 1
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -854.793706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.793706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.551064 (E_RNA)
where:
Base-Base interactions energy: -600.874
where: short stacking energy: -232.681
Base-Backbone interact. energy: -2.017
local terms energy: -263.659744
where:
bonds (distance) C4'-P energy: -47.624
bonds (distance) P-C4' energy: -49.503
flat angles C4'-P-C4' energy: -72.105
flat angles P-C4'-P energy: -38.845
tors. eta vs tors. theta energy: -55.583
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: 1, replica: 9
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1277.139795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.139795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.061631 (E_RNA)
where:
Base-Base interactions energy: -883.521
where: short stacking energy: -360.674
Base-Backbone interact. energy: -2.780
local terms energy: -393.760615
where:
bonds (distance) C4'-P energy: -69.853
bonds (distance) P-C4' energy: -76.844
flat angles C4'-P-C4' energy: -79.176
flat angles P-C4'-P energy: -54.834
tors. eta vs tors. theta energy: -113.053
Dist. restrs. and SS energy: 2.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1257.114375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.114375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.379640 (E_RNA)
where:
Base-Base interactions energy: -886.456
where: short stacking energy: -371.780
Base-Backbone interact. energy: -1.095
local terms energy: -372.829198
where:
bonds (distance) C4'-P energy: -75.286
bonds (distance) P-C4' energy: -56.798
flat angles C4'-P-C4' energy: -80.794
flat angles P-C4'-P energy: -51.466
tors. eta vs tors. theta energy: -108.485
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: 7
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -1190.446382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.446382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.446158 (E_RNA)
where:
Base-Base interactions energy: -836.601
where: short stacking energy: -345.388
Base-Backbone interact. energy: -1.723
local terms energy: -355.122764
where:
bonds (distance) C4'-P energy: -60.335
bonds (distance) P-C4' energy: -65.089
flat angles C4'-P-C4' energy: -75.640
flat angles P-C4'-P energy: -50.434
tors. eta vs tors. theta energy: -103.625
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: 4, replica: 2
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -1162.455991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.455991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.093703 (E_RNA)
where:
Base-Base interactions energy: -818.076
where: short stacking energy: -336.858
Base-Backbone interact. energy: -0.954
local terms energy: -350.063475
where:
bonds (distance) C4'-P energy: -60.183
bonds (distance) P-C4' energy: -76.703
flat angles C4'-P-C4' energy: -68.337
flat angles P-C4'-P energy: -48.928
tors. eta vs tors. theta energy: -95.913
Dist. restrs. and SS energy: 6.638 (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: 6
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -1084.893048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.893048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.247990 (E_RNA)
where:
Base-Base interactions energy: -744.739
where: short stacking energy: -310.791
Base-Backbone interact. energy: -1.953
local terms energy: -340.556031
where:
bonds (distance) C4'-P energy: -62.447
bonds (distance) P-C4' energy: -64.581
flat angles C4'-P-C4' energy: -73.276
flat angles P-C4'-P energy: -51.718
tors. eta vs tors. theta energy: -88.534
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: 6, replica: 8
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -1001.332324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.332324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.132752 (E_RNA)
where:
Base-Base interactions energy: -702.577
where: short stacking energy: -280.421
Base-Backbone interact. energy: -1.968
local terms energy: -300.588359
where:
bonds (distance) C4'-P energy: -65.473
bonds (distance) P-C4' energy: -57.073
flat angles C4'-P-C4' energy: -74.504
flat angles P-C4'-P energy: -35.193
tors. eta vs tors. theta energy: -68.346
Dist. restrs. and SS energy: 3.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -973.197491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.197491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.889980 (E_RNA)
where:
Base-Base interactions energy: -680.673
where: short stacking energy: -297.119
Base-Backbone interact. energy: -0.886
local terms energy: -295.331195
where:
bonds (distance) C4'-P energy: -42.412
bonds (distance) P-C4' energy: -61.997
flat angles C4'-P-C4' energy: -65.766
flat angles P-C4'-P energy: -46.585
tors. eta vs tors. theta energy: -78.571
Dist. restrs. and SS energy: 3.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -953.850433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.850433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.444743 (E_RNA)
where:
Base-Base interactions energy: -673.542
where: short stacking energy: -258.584
Base-Backbone interact. energy: 0.744
local terms energy: -285.646963
where:
bonds (distance) C4'-P energy: -62.909
bonds (distance) P-C4' energy: -44.186
flat angles C4'-P-C4' energy: -64.435
flat angles P-C4'-P energy: -50.845
tors. eta vs tors. theta energy: -63.272
Dist. restrs. and SS energy: 4.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -917.877783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.877783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.161613 (E_RNA)
where:
Base-Base interactions energy: -646.587
where: short stacking energy: -243.588
Base-Backbone interact. energy: -0.437
local terms energy: -274.137797
where:
bonds (distance) C4'-P energy: -52.819
bonds (distance) P-C4' energy: -69.581
flat angles C4'-P-C4' energy: -46.197
flat angles P-C4'-P energy: -41.821
tors. eta vs tors. theta energy: -63.721
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: 10, replica: 1
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -857.704076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.704076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.960137 (E_RNA)
where:
Base-Base interactions energy: -585.197
where: short stacking energy: -233.742
Base-Backbone interact. energy: 0.040
local terms energy: -278.803059
where:
bonds (distance) C4'-P energy: -49.996
bonds (distance) P-C4' energy: -68.399
flat angles C4'-P-C4' energy: -65.824
flat angles P-C4'-P energy: -48.775
tors. eta vs tors. theta energy: -45.810
Dist. restrs. and SS energy: 6.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -1259.907710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.907710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.892608 (E_RNA)
where:
Base-Base interactions energy: -881.098
where: short stacking energy: -363.170
Base-Backbone interact. energy: -2.414
local terms energy: -378.380145
where:
bonds (distance) C4'-P energy: -68.224
bonds (distance) P-C4' energy: -69.571
flat angles C4'-P-C4' energy: -77.787
flat angles P-C4'-P energy: -55.815
tors. eta vs tors. theta energy: -106.983
Dist. restrs. and SS energy: 1.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -1211.864226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.864226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.078373 (E_RNA)
where:
Base-Base interactions energy: -848.243
where: short stacking energy: -347.974
Base-Backbone interact. energy: -1.361
local terms energy: -365.474579
where:
bonds (distance) C4'-P energy: -64.705
bonds (distance) P-C4' energy: -73.375
flat angles C4'-P-C4' energy: -74.816
flat angles P-C4'-P energy: -50.250
tors. eta vs tors. theta energy: -102.328
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: 3, replica: 4
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -1204.664681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.664681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.923953 (E_RNA)
where:
Base-Base interactions energy: -851.255
where: short stacking energy: -350.020
Base-Backbone interact. energy: -2.396
local terms energy: -354.272942
where:
bonds (distance) C4'-P energy: -60.768
bonds (distance) P-C4' energy: -61.747
flat angles C4'-P-C4' energy: -75.216
flat angles P-C4'-P energy: -49.275
tors. eta vs tors. theta energy: -107.267
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: 6
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -1096.193065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.193065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.156439 (E_RNA)
where:
Base-Base interactions energy: -755.748
where: short stacking energy: -313.603
Base-Backbone interact. energy: -0.873
local terms energy: -341.535487
where:
bonds (distance) C4'-P energy: -64.986
bonds (distance) P-C4' energy: -64.005
flat angles C4'-P-C4' energy: -78.880
flat angles P-C4'-P energy: -47.203
tors. eta vs tors. theta energy: -86.462
Dist. restrs. and SS energy: 1.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -1133.648254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.648254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.438269 (E_RNA)
where:
Base-Base interactions energy: -787.729
where: short stacking energy: -338.120
Base-Backbone interact. energy: -0.399
local terms energy: -350.309874
where:
bonds (distance) C4'-P energy: -66.966
bonds (distance) P-C4' energy: -52.680
flat angles C4'-P-C4' energy: -79.217
flat angles P-C4'-P energy: -45.537
tors. eta vs tors. theta energy: -105.909
Dist. restrs. and SS energy: 4.790 (S_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: 493
Temperature: 1.150000
Total energy: -1021.757307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.757307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.069361 (E_RNA)
where:
Base-Base interactions energy: -704.419
where: short stacking energy: -292.178
Base-Backbone interact. energy: -0.428
local terms energy: -318.222506
where:
bonds (distance) C4'-P energy: -47.588
bonds (distance) P-C4' energy: -69.020
flat angles C4'-P-C4' energy: -73.026
flat angles P-C4'-P energy: -52.971
tors. eta vs tors. theta energy: -75.618
Dist. restrs. and SS energy: 1.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -1038.565586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.565586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.263847 (E_RNA)
where:
Base-Base interactions energy: -737.687
where: short stacking energy: -300.254
Base-Backbone interact. energy: -1.960
local terms energy: -301.616941
where:
bonds (distance) C4'-P energy: -58.396
bonds (distance) P-C4' energy: -62.192
flat angles C4'-P-C4' energy: -68.391
flat angles P-C4'-P energy: -43.466
tors. eta vs tors. theta energy: -69.172
Dist. restrs. and SS energy: 2.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -954.242078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.242078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.680969 (E_RNA)
where:
Base-Base interactions energy: -669.298
where: short stacking energy: -248.605
Base-Backbone interact. energy: 4.933
local terms energy: -293.315916
where:
bonds (distance) C4'-P energy: -61.701
bonds (distance) P-C4' energy: -63.926
flat angles C4'-P-C4' energy: -65.174
flat angles P-C4'-P energy: -37.107
tors. eta vs tors. theta energy: -65.408
Dist. restrs. and SS energy: 3.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -871.790982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.790982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.814241 (E_RNA)
where:
Base-Base interactions energy: -622.558
where: short stacking energy: -234.991
Base-Backbone interact. energy: 1.794
local terms energy: -253.049969
where:
bonds (distance) C4'-P energy: -45.992
bonds (distance) P-C4' energy: -52.147
flat angles C4'-P-C4' energy: -64.340
flat angles P-C4'-P energy: -42.687
tors. eta vs tors. theta energy: -47.884
Dist. restrs. and SS energy: 2.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -865.259808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.259808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.907123 (E_RNA)
where:
Base-Base interactions energy: -599.625
where: short stacking energy: -241.384
Base-Backbone interact. energy: -3.316
local terms energy: -272.965775
where:
bonds (distance) C4'-P energy: -52.044
bonds (distance) P-C4' energy: -56.049
flat angles C4'-P-C4' energy: -66.946
flat angles P-C4'-P energy: -40.751
tors. eta vs tors. theta energy: -57.176
Dist. restrs. and SS energy: 10.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -1250.558688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.558688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.654929 (E_RNA)
where:
Base-Base interactions energy: -878.072
where: short stacking energy: -364.948
Base-Backbone interact. energy: 1.008
local terms energy: -376.590496
where:
bonds (distance) C4'-P energy: -65.091
bonds (distance) P-C4' energy: -72.425
flat angles C4'-P-C4' energy: -78.509
flat angles P-C4'-P energy: -52.693
tors. eta vs tors. theta energy: -107.872
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: 9
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -1244.086616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.086616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.633151 (E_RNA)
where:
Base-Base interactions energy: -880.946
where: short stacking energy: -351.086
Base-Backbone interact. energy: -3.121
local terms energy: -362.566139
where:
bonds (distance) C4'-P energy: -72.708
bonds (distance) P-C4' energy: -67.482
flat angles C4'-P-C4' energy: -66.264
flat angles P-C4'-P energy: -47.894
tors. eta vs tors. theta energy: -108.218
Dist. restrs. and SS energy: 2.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -1194.608324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.608324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.767998 (E_RNA)
where:
Base-Base interactions energy: -812.166
where: short stacking energy: -332.503
Base-Backbone interact. energy: -0.480
local terms energy: -385.122487
where:
bonds (distance) C4'-P energy: -76.164
bonds (distance) P-C4' energy: -72.065
flat angles C4'-P-C4' energy: -76.411
flat angles P-C4'-P energy: -55.684
tors. eta vs tors. theta energy: -104.799
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: 6
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -1123.141560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.141560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.859126 (E_RNA)
where:
Base-Base interactions energy: -777.928
where: short stacking energy: -329.813
Base-Backbone interact. energy: -0.744
local terms energy: -347.187751
where:
bonds (distance) C4'-P energy: -69.827
bonds (distance) P-C4' energy: -71.443
flat angles C4'-P-C4' energy: -68.347
flat angles P-C4'-P energy: -48.998
tors. eta vs tors. theta energy: -88.572
Dist. restrs. and SS energy: 2.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -1093.918543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.918543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.751042 (E_RNA)
where:
Base-Base interactions energy: -763.677
where: short stacking energy: -310.683
Base-Backbone interact. energy: -1.489
local terms energy: -331.585354
where:
bonds (distance) C4'-P energy: -59.926
bonds (distance) P-C4' energy: -54.619
flat angles C4'-P-C4' energy: -79.866
flat angles P-C4'-P energy: -52.473
tors. eta vs tors. theta energy: -84.701
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: 6, replica: 10
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -1043.628880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.628880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.265711 (E_RNA)
where:
Base-Base interactions energy: -726.385
where: short stacking energy: -293.859
Base-Backbone interact. energy: 0.961
local terms energy: -319.841264
where:
bonds (distance) C4'-P energy: -64.093
bonds (distance) P-C4' energy: -64.196
flat angles C4'-P-C4' energy: -54.540
flat angles P-C4'-P energy: -52.110
tors. eta vs tors. theta energy: -84.902
Dist. restrs. and SS energy: 1.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -1010.526244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.526244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.798773 (E_RNA)
where:
Base-Base interactions energy: -704.815
where: short stacking energy: -291.864
Base-Backbone interact. energy: -3.027
local terms energy: -303.957035
where:
bonds (distance) C4'-P energy: -63.836
bonds (distance) P-C4' energy: -52.432
flat angles C4'-P-C4' energy: -67.041
flat angles P-C4'-P energy: -32.556
tors. eta vs tors. theta energy: -88.093
Dist. restrs. and SS energy: 1.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -938.615088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.615088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.417545 (E_RNA)
where:
Base-Base interactions energy: -661.514
where: short stacking energy: -257.188
Base-Backbone interact. energy: 5.041
local terms energy: -283.944387
where:
bonds (distance) C4'-P energy: -52.861
bonds (distance) P-C4' energy: -58.960
flat angles C4'-P-C4' energy: -80.477
flat angles P-C4'-P energy: -30.793
tors. eta vs tors. theta energy: -60.853
Dist. restrs. and SS energy: 1.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -844.840495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.840495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.873251 (E_RNA)
where:
Base-Base interactions energy: -609.037
where: short stacking energy: -232.720
Base-Backbone interact. energy: -1.348
local terms energy: -245.487825
where:
bonds (distance) C4'-P energy: -48.767
bonds (distance) P-C4' energy: -50.467
flat angles C4'-P-C4' energy: -52.720
flat angles P-C4'-P energy: -42.764
tors. eta vs tors. theta energy: -50.770
Dist. restrs. and SS energy: 11.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -895.683914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.683914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.641213 (E_RNA)
where:
Base-Base interactions energy: -617.618
where: short stacking energy: -245.345
Base-Backbone interact. energy: 1.729
local terms energy: -284.752140
where:
bonds (distance) C4'-P energy: -49.605
bonds (distance) P-C4' energy: -58.770
flat angles C4'-P-C4' energy: -65.588
flat angles P-C4'-P energy: -42.608
tors. eta vs tors. theta energy: -68.183
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: 1, replica: 7
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -1254.905311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.905311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.921106 (E_RNA)
where:
Base-Base interactions energy: -872.567
where: short stacking energy: -340.838
Base-Backbone interact. energy: -2.646
local terms energy: -380.708019
where:
bonds (distance) C4'-P energy: -70.346
bonds (distance) P-C4' energy: -71.619
flat angles C4'-P-C4' energy: -80.687
flat angles P-C4'-P energy: -60.205
tors. eta vs tors. theta energy: -97.852
Dist. restrs. and SS energy: 1.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -1223.844428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.844428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.675294 (E_RNA)
where:
Base-Base interactions energy: -860.152
where: short stacking energy: -351.019
Base-Backbone interact. energy: -1.570
local terms energy: -366.953419
where:
bonds (distance) C4'-P energy: -69.095
bonds (distance) P-C4' energy: -64.466
flat angles C4'-P-C4' energy: -78.850
flat angles P-C4'-P energy: -58.390
tors. eta vs tors. theta energy: -96.152
Dist. restrs. and SS energy: 4.831 (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: 9
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -1197.199916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.199916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.458612 (E_RNA)
where:
Base-Base interactions energy: -839.634
where: short stacking energy: -340.703
Base-Backbone interact. energy: -1.621
local terms energy: -358.204117
where:
bonds (distance) C4'-P energy: -64.519
bonds (distance) P-C4' energy: -68.864
flat angles C4'-P-C4' energy: -70.135
flat angles P-C4'-P energy: -48.178
tors. eta vs tors. theta energy: -106.508
Dist. restrs. and SS energy: 2.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -1151.827899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.827899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.685666 (E_RNA)
where:
Base-Base interactions energy: -805.945
where: short stacking energy: -339.830
Base-Backbone interact. energy: -1.066
local terms energy: -348.674562
where:
bonds (distance) C4'-P energy: -59.918
bonds (distance) P-C4' energy: -64.013
flat angles C4'-P-C4' energy: -74.767
flat angles P-C4'-P energy: -52.530
tors. eta vs tors. theta energy: -97.446
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: 5, replica: 6
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -1078.404890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.404890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.031523 (E_RNA)
where:
Base-Base interactions energy: -750.392
where: short stacking energy: -285.322
Base-Backbone interact. energy: -1.732
local terms energy: -330.907920
where:
bonds (distance) C4'-P energy: -61.036
bonds (distance) P-C4' energy: -72.429
flat angles C4'-P-C4' energy: -65.743
flat angles P-C4'-P energy: -49.716
tors. eta vs tors. theta energy: -81.983
Dist. restrs. and SS energy: 4.627 (S_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: 495
Temperature: 1.150000
Total energy: -1015.443309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.443309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.349644 (E_RNA)
where:
Base-Base interactions energy: -701.463
where: short stacking energy: -293.444
Base-Backbone interact. energy: -2.068
local terms energy: -312.818445
where:
bonds (distance) C4'-P energy: -62.219
bonds (distance) P-C4' energy: -55.780
flat angles C4'-P-C4' energy: -75.482
flat angles P-C4'-P energy: -39.361
tors. eta vs tors. theta energy: -79.977
Dist. restrs. and SS energy: 0.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -984.243054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.243054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.127370 (E_RNA)
where:
Base-Base interactions energy: -675.884
where: short stacking energy: -297.534
Base-Backbone interact. energy: 1.330
local terms energy: -313.573735
where:
bonds (distance) C4'-P energy: -54.981
bonds (distance) P-C4' energy: -63.311
flat angles C4'-P-C4' energy: -75.964
flat angles P-C4'-P energy: -39.978
tors. eta vs tors. theta energy: -79.340
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: 8, replica: 1
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -891.351726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.351726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.294556 (E_RNA)
where:
Base-Base interactions energy: -631.938
where: short stacking energy: -241.283
Base-Backbone interact. energy: -1.062
local terms energy: -265.294822
where:
bonds (distance) C4'-P energy: -66.414
bonds (distance) P-C4' energy: -49.096
flat angles C4'-P-C4' energy: -60.076
flat angles P-C4'-P energy: -27.872
tors. eta vs tors. theta energy: -61.836
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: 9, replica: 5
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -936.025874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.025874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.995241 (E_RNA)
where:
Base-Base interactions energy: -673.671
where: short stacking energy: -247.048
Base-Backbone interact. energy: -0.107
local terms energy: -265.218093
where:
bonds (distance) C4'-P energy: -56.970
bonds (distance) P-C4' energy: -51.601
flat angles C4'-P-C4' energy: -68.250
flat angles P-C4'-P energy: -33.028
tors. eta vs tors. theta energy: -55.369
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: 10, replica: 3
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -879.156707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.156707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.045862 (E_RNA)
where:
Base-Base interactions energy: -626.201
where: short stacking energy: -244.382
Base-Backbone interact. energy: 2.814
local terms energy: -259.659158
where:
bonds (distance) C4'-P energy: -44.572
bonds (distance) P-C4' energy: -61.126
flat angles C4'-P-C4' energy: -46.275
flat angles P-C4'-P energy: -49.660
tors. eta vs tors. theta energy: -58.026
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: 1, replica: 4
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -1253.160847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.160847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.266634 (E_RNA)
where:
Base-Base interactions energy: -875.611
where: short stacking energy: -360.543
Base-Backbone interact. energy: -1.006
local terms energy: -380.649711
where:
bonds (distance) C4'-P energy: -66.080
bonds (distance) P-C4' energy: -71.817
flat angles C4'-P-C4' energy: -80.194
flat angles P-C4'-P energy: -55.441
tors. eta vs tors. theta energy: -107.118
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: 2, replica: 7
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -1232.176059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.176059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.829709 (E_RNA)
where:
Base-Base interactions energy: -860.078
where: short stacking energy: -349.317
Base-Backbone interact. energy: 0.434
local terms energy: -375.185952
where:
bonds (distance) C4'-P energy: -69.183
bonds (distance) P-C4' energy: -68.488
flat angles C4'-P-C4' energy: -77.962
flat angles P-C4'-P energy: -59.239
tors. eta vs tors. theta energy: -100.315
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: 3, replica: 9
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -1177.587979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.587979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.077971 (E_RNA)
where:
Base-Base interactions energy: -822.643
where: short stacking energy: -340.515
Base-Backbone interact. energy: -3.334
local terms energy: -353.100894
where:
bonds (distance) C4'-P energy: -67.160
bonds (distance) P-C4' energy: -59.960
flat angles C4'-P-C4' energy: -76.208
flat angles P-C4'-P energy: -45.361
tors. eta vs tors. theta energy: -104.412
Dist. restrs. and SS energy: 1.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -1140.903202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.903202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.858976 (E_RNA)
where:
Base-Base interactions energy: -807.471
where: short stacking energy: -336.045
Base-Backbone interact. energy: -0.893
local terms energy: -335.495181
where:
bonds (distance) C4'-P energy: -56.242
bonds (distance) P-C4' energy: -66.474
flat angles C4'-P-C4' energy: -72.104
flat angles P-C4'-P energy: -47.516
tors. eta vs tors. theta energy: -93.159
Dist. restrs. and SS energy: 2.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -1057.857219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.857219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.525095 (E_RNA)
where:
Base-Base interactions energy: -720.945
where: short stacking energy: -288.775
Base-Backbone interact. energy: -3.008
local terms energy: -337.571412
where:
bonds (distance) C4'-P energy: -61.402
bonds (distance) P-C4' energy: -70.998
flat angles C4'-P-C4' energy: -81.191
flat angles P-C4'-P energy: -39.588
tors. eta vs tors. theta energy: -84.392
Dist. restrs. and SS energy: 3.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -1002.219156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.219156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.909937 (E_RNA)
where:
Base-Base interactions energy: -696.964
where: short stacking energy: -283.367
Base-Backbone interact. energy: -1.378
local terms energy: -304.568022
where:
bonds (distance) C4'-P energy: -52.740
bonds (distance) P-C4' energy: -66.568
flat angles C4'-P-C4' energy: -72.020
flat angles P-C4'-P energy: -37.281
tors. eta vs tors. theta energy: -75.959
Dist. restrs. and SS energy: 0.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -968.272828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.272828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.725750 (E_RNA)
where:
Base-Base interactions energy: -687.100
where: short stacking energy: -273.340
Base-Backbone interact. energy: -0.743
local terms energy: -283.882247
where:
bonds (distance) C4'-P energy: -59.501
bonds (distance) P-C4' energy: -49.530
flat angles C4'-P-C4' energy: -73.812
flat angles P-C4'-P energy: -36.454
tors. eta vs tors. theta energy: -64.584
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: 8, replica: 1
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -910.375264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.375264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.549150 (E_RNA)
where:
Base-Base interactions energy: -613.167
where: short stacking energy: -243.742
Base-Backbone interact. energy: -0.383
local terms energy: -303.999534
where:
bonds (distance) C4'-P energy: -56.795
bonds (distance) P-C4' energy: -63.245
flat angles C4'-P-C4' energy: -73.069
flat angles P-C4'-P energy: -46.874
tors. eta vs tors. theta energy: -64.016
Dist. restrs. and SS energy: 7.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -922.620978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.620978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.889210 (E_RNA)
where:
Base-Base interactions energy: -630.688
where: short stacking energy: -249.809
Base-Backbone interact. energy: -1.415
local terms energy: -294.786693
where:
bonds (distance) C4'-P energy: -56.734
bonds (distance) P-C4' energy: -73.402
flat angles C4'-P-C4' energy: -55.417
flat angles P-C4'-P energy: -47.971
tors. eta vs tors. theta energy: -61.262
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: 3
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -871.272301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.272301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.999225 (E_RNA)
where:
Base-Base interactions energy: -605.511
where: short stacking energy: -237.796
Base-Backbone interact. energy: 2.632
local terms energy: -271.120316
where:
bonds (distance) C4'-P energy: -55.677
bonds (distance) P-C4' energy: -59.832
flat angles C4'-P-C4' energy: -66.862
flat angles P-C4'-P energy: -30.579
tors. eta vs tors. theta energy: -58.169
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: 1, replica: 4
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -1256.899551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.899551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.154099 (E_RNA)
where:
Base-Base interactions energy: -878.627
where: short stacking energy: -353.607
Base-Backbone interact. energy: -4.312
local terms energy: -377.215417
where:
bonds (distance) C4'-P energy: -80.116
bonds (distance) P-C4' energy: -67.185
flat angles C4'-P-C4' energy: -78.692
flat angles P-C4'-P energy: -50.405
tors. eta vs tors. theta energy: -100.818
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: 7
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -1207.460317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.460317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.738800 (E_RNA)
where:
Base-Base interactions energy: -868.481
where: short stacking energy: -348.175
Base-Backbone interact. energy: -1.050
local terms energy: -340.207163
where:
bonds (distance) C4'-P energy: -65.968
bonds (distance) P-C4' energy: -64.322
flat angles C4'-P-C4' energy: -66.538
flat angles P-C4'-P energy: -47.718
tors. eta vs tors. theta energy: -95.661
Dist. restrs. and SS energy: 2.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -1188.128010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.128010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.824109 (E_RNA)
where:
Base-Base interactions energy: -827.552
where: short stacking energy: -355.014
Base-Backbone interact. energy: -0.072
local terms energy: -364.199772
where:
bonds (distance) C4'-P energy: -57.720
bonds (distance) P-C4' energy: -71.135
flat angles C4'-P-C4' energy: -77.139
flat angles P-C4'-P energy: -50.234
tors. eta vs tors. theta energy: -107.972
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: 4, replica: 2
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -1152.759476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.759476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.477153 (E_RNA)
where:
Base-Base interactions energy: -810.307
where: short stacking energy: -332.821
Base-Backbone interact. energy: -3.580
local terms energy: -343.591015
where:
bonds (distance) C4'-P energy: -58.761
bonds (distance) P-C4' energy: -57.798
flat angles C4'-P-C4' energy: -77.382
flat angles P-C4'-P energy: -56.878
tors. eta vs tors. theta energy: -92.772
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: 5, replica: 6
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -1040.210440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.210440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.462271 (E_RNA)
where:
Base-Base interactions energy: -726.834
where: short stacking energy: -296.329
Base-Backbone interact. energy: -0.961
local terms energy: -317.666890
where:
bonds (distance) C4'-P energy: -63.203
bonds (distance) P-C4' energy: -71.736
flat angles C4'-P-C4' energy: -67.287
flat angles P-C4'-P energy: -39.607
tors. eta vs tors. theta energy: -75.834
Dist. restrs. and SS energy: 5.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -1041.040219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.040219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.882542 (E_RNA)
where:
Base-Base interactions energy: -718.124
where: short stacking energy: -285.905
Base-Backbone interact. energy: 9.919
local terms energy: -333.677958
where:
bonds (distance) C4'-P energy: -70.366
bonds (distance) P-C4' energy: -70.332
flat angles C4'-P-C4' energy: -70.695
flat angles P-C4'-P energy: -45.841
tors. eta vs tors. theta energy: -76.444
Dist. restrs. and SS energy: 0.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -976.442050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.442050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.949265 (E_RNA)
where:
Base-Base interactions energy: -694.009
where: short stacking energy: -289.863
Base-Backbone interact. energy: -0.785
local terms energy: -283.155934
where:
bonds (distance) C4'-P energy: -36.582
bonds (distance) P-C4' energy: -65.949
flat angles C4'-P-C4' energy: -66.959
flat angles P-C4'-P energy: -41.052
tors. eta vs tors. theta energy: -72.613
Dist. restrs. and SS energy: 1.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -880.094825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.094825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.316443 (E_RNA)
where:
Base-Base interactions energy: -611.776
where: short stacking energy: -245.072
Base-Backbone interact. energy: -1.418
local terms energy: -270.122589
where:
bonds (distance) C4'-P energy: -53.178
bonds (distance) P-C4' energy: -53.358
flat angles C4'-P-C4' energy: -63.869
flat angles P-C4'-P energy: -39.194
tors. eta vs tors. theta energy: -60.524
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: 9, replica: 5
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -882.021163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.021163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.591406 (E_RNA)
where:
Base-Base interactions energy: -639.577
where: short stacking energy: -253.315
Base-Backbone interact. energy: 4.309
local terms energy: -251.323103
where:
bonds (distance) C4'-P energy: -58.789
bonds (distance) P-C4' energy: -58.450
flat angles C4'-P-C4' energy: -61.306
flat angles P-C4'-P energy: -29.534
tors. eta vs tors. theta energy: -43.244
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: 10, replica: 3
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -867.417532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.417532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.513627 (E_RNA)
where:
Base-Base interactions energy: -609.545
where: short stacking energy: -239.480
Base-Backbone interact. energy: -1.797
local terms energy: -262.171802
where:
bonds (distance) C4'-P energy: -51.865
bonds (distance) P-C4' energy: -65.005
flat angles C4'-P-C4' energy: -59.758
flat angles P-C4'-P energy: -36.440
tors. eta vs tors. theta energy: -49.103
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: 1, replica: 4
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -1267.027851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.027851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.318053 (E_RNA)
where:
Base-Base interactions energy: -884.889
where: short stacking energy: -361.342
Base-Backbone interact. energy: -1.417
local terms energy: -384.011934
where:
bonds (distance) C4'-P energy: -70.569
bonds (distance) P-C4' energy: -72.119
flat angles C4'-P-C4' energy: -80.426
flat angles P-C4'-P energy: -55.271
tors. eta vs tors. theta energy: -105.627
Dist. restrs. and SS energy: 3.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -1209.960928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.960928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.239938 (E_RNA)
where:
Base-Base interactions energy: -850.964
where: short stacking energy: -350.454
Base-Backbone interact. energy: -2.947
local terms energy: -359.329464
where:
bonds (distance) C4'-P energy: -55.220
bonds (distance) P-C4' energy: -73.615
flat angles C4'-P-C4' energy: -79.480
flat angles P-C4'-P energy: -51.129
tors. eta vs tors. theta energy: -99.885
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: 498
Temperature: 1.000000
Total energy: -1208.747299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.747299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.833788 (E_RNA)
where:
Base-Base interactions energy: -849.948
where: short stacking energy: -352.846
Base-Backbone interact. energy: 2.353
local terms energy: -366.239447
where:
bonds (distance) C4'-P energy: -65.920
bonds (distance) P-C4' energy: -72.861
flat angles C4'-P-C4' energy: -74.002
flat angles P-C4'-P energy: -50.846
tors. eta vs tors. theta energy: -102.611
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: 4, replica: 2
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -1143.704750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.704750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.479696 (E_RNA)
where:
Base-Base interactions energy: -804.815
where: short stacking energy: -329.469
Base-Backbone interact. energy: -1.163
local terms energy: -343.501477
where:
bonds (distance) C4'-P energy: -54.664
bonds (distance) P-C4' energy: -73.428
flat angles C4'-P-C4' energy: -77.451
flat angles P-C4'-P energy: -47.972
tors. eta vs tors. theta energy: -89.986
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: 5, replica: 8
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -1061.615282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.615282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.458237 (E_RNA)
where:
Base-Base interactions energy: -767.696
where: short stacking energy: -312.841
Base-Backbone interact. energy: -1.551
local terms energy: -300.211274
where:
bonds (distance) C4'-P energy: -60.085
bonds (distance) P-C4' energy: -58.246
flat angles C4'-P-C4' energy: -66.599
flat angles P-C4'-P energy: -40.482
tors. eta vs tors. theta energy: -74.800
Dist. restrs. and SS energy: 7.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -1017.444180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.444180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.561867 (E_RNA)
where:
Base-Base interactions energy: -711.001
where: short stacking energy: -289.072
Base-Backbone interact. energy: -0.828
local terms energy: -312.732893
where:
bonds (distance) C4'-P energy: -54.244
bonds (distance) P-C4' energy: -62.395
flat angles C4'-P-C4' energy: -68.870
flat angles P-C4'-P energy: -50.125
tors. eta vs tors. theta energy: -77.100
Dist. restrs. and SS energy: 7.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -906.978887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.978887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.348928 (E_RNA)
where:
Base-Base interactions energy: -643.536
where: short stacking energy: -268.356
Base-Backbone interact. energy: -1.225
local terms energy: -272.588156
where:
bonds (distance) C4'-P energy: -49.750
bonds (distance) P-C4' energy: -71.060
flat angles C4'-P-C4' energy: -64.626
flat angles P-C4'-P energy: -35.496
tors. eta vs tors. theta energy: -51.655
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: 10
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -948.113431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.113431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.327572 (E_RNA)
where:
Base-Base interactions energy: -655.906
where: short stacking energy: -256.254
Base-Backbone interact. energy: 3.193
local terms energy: -300.614678
where:
bonds (distance) C4'-P energy: -59.153
bonds (distance) P-C4' energy: -66.666
flat angles C4'-P-C4' energy: -69.735
flat angles P-C4'-P energy: -39.558
tors. eta vs tors. theta energy: -65.503
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: 5
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -922.545583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.545583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.811979 (E_RNA)
where:
Base-Base interactions energy: -666.377
where: short stacking energy: -269.036
Base-Backbone interact. energy: -2.107
local terms energy: -262.328115
where:
bonds (distance) C4'-P energy: -24.212
bonds (distance) P-C4' energy: -58.270
flat angles C4'-P-C4' energy: -69.369
flat angles P-C4'-P energy: -39.040
tors. eta vs tors. theta energy: -71.438
Dist. restrs. and SS energy: 8.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -869.006840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.006840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.099144 (E_RNA)
where:
Base-Base interactions energy: -609.956
where: short stacking energy: -247.053
Base-Backbone interact. energy: 0.209
local terms energy: -263.351258
where:
bonds (distance) C4'-P energy: -46.272
bonds (distance) P-C4' energy: -52.263
flat angles C4'-P-C4' energy: -65.855
flat angles P-C4'-P energy: -37.954
tors. eta vs tors. theta energy: -61.007
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: 1, replica: 4
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -1243.488765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.488765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.031187 (E_RNA)
where:
Base-Base interactions energy: -888.654
where: short stacking energy: -357.632
Base-Backbone interact. energy: -0.923
local terms energy: -357.454610
where:
bonds (distance) C4'-P energy: -65.142
bonds (distance) P-C4' energy: -58.106
flat angles C4'-P-C4' energy: -73.596
flat angles P-C4'-P energy: -49.088
tors. eta vs tors. theta energy: -111.523
Dist. restrs. and SS energy: 3.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -1241.795004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.795004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.729453 (E_RNA)
where:
Base-Base interactions energy: -873.772
where: short stacking energy: -373.608
Base-Backbone interact. energy: -2.067
local terms energy: -369.890795
where:
bonds (distance) C4'-P energy: -65.474
bonds (distance) P-C4' energy: -68.075
flat angles C4'-P-C4' energy: -77.251
flat angles P-C4'-P energy: -50.545
tors. eta vs tors. theta energy: -108.545
Dist. restrs. and SS energy: 3.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -1218.047507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.047507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.478318 (E_RNA)
where:
Base-Base interactions energy: -837.065
where: short stacking energy: -370.398
Base-Backbone interact. energy: 0.021
local terms energy: -385.434202
where:
bonds (distance) C4'-P energy: -72.986
bonds (distance) P-C4' energy: -57.627
flat angles C4'-P-C4' energy: -81.901
flat angles P-C4'-P energy: -63.103
tors. eta vs tors. theta energy: -109.818
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: 2
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -1150.254724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.254724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.154368 (E_RNA)
where:
Base-Base interactions energy: -811.321
where: short stacking energy: -332.364
Base-Backbone interact. energy: -2.765
local terms energy: -339.068857
where:
bonds (distance) C4'-P energy: -57.579
bonds (distance) P-C4' energy: -64.886
flat angles C4'-P-C4' energy: -70.544
flat angles P-C4'-P energy: -50.770
tors. eta vs tors. theta energy: -95.290
Dist. restrs. and SS energy: 2.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -1054.742167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.742167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.556053 (E_RNA)
where:
Base-Base interactions energy: -735.717
where: short stacking energy: -296.383
Base-Backbone interact. energy: -1.037
local terms energy: -319.802458
where:
bonds (distance) C4'-P energy: -54.665
bonds (distance) P-C4' energy: -71.037
flat angles C4'-P-C4' energy: -72.446
flat angles P-C4'-P energy: -42.670
tors. eta vs tors. theta energy: -78.985
Dist. restrs. and SS energy: 1.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -1057.839398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.839398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.035236 (E_RNA)
where:
Base-Base interactions energy: -732.494
where: short stacking energy: -311.734
Base-Backbone interact. energy: -1.526
local terms energy: -328.014764
where:
bonds (distance) C4'-P energy: -57.001
bonds (distance) P-C4' energy: -70.588
flat angles C4'-P-C4' energy: -62.981
flat angles P-C4'-P energy: -48.541
tors. eta vs tors. theta energy: -88.904
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: 7, replica: 1
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -929.581883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.581883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.765854 (E_RNA)
where:
Base-Base interactions energy: -661.418
where: short stacking energy: -269.967
Base-Backbone interact. energy: -3.623
local terms energy: -274.724781
where:
bonds (distance) C4'-P energy: -49.528
bonds (distance) P-C4' energy: -63.599
flat angles C4'-P-C4' energy: -67.959
flat angles P-C4'-P energy: -33.272
tors. eta vs tors. theta energy: -60.367
Dist. restrs. and SS energy: 10.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -952.515706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.515706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.751621 (E_RNA)
where:
Base-Base interactions energy: -666.381
where: short stacking energy: -291.895
Base-Backbone interact. energy: -1.337
local terms energy: -290.033442
where:
bonds (distance) C4'-P energy: -48.928
bonds (distance) P-C4' energy: -46.368
flat angles C4'-P-C4' energy: -82.056
flat angles P-C4'-P energy: -42.644
tors. eta vs tors. theta energy: -70.037
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: 9, replica: 5
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -915.631389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.631389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.682751 (E_RNA)
where:
Base-Base interactions energy: -653.092
where: short stacking energy: -253.627
Base-Backbone interact. energy: 0.369
local terms energy: -267.959627
where:
bonds (distance) C4'-P energy: -55.623
bonds (distance) P-C4' energy: -58.826
flat angles C4'-P-C4' energy: -62.407
flat angles P-C4'-P energy: -33.872
tors. eta vs tors. theta energy: -57.231
Dist. restrs. and SS energy: 5.051 (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: 499
Temperature: 1.350000
Total energy: -878.151424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.151424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.943506 (E_RNA)
where:
Base-Base interactions energy: -613.296
where: short stacking energy: -251.348
Base-Backbone interact. energy: -0.515
local terms energy: -270.132710
where:
bonds (distance) C4'-P energy: -53.246
bonds (distance) P-C4' energy: -61.985
flat angles C4'-P-C4' energy: -63.247
flat angles P-C4'-P energy: -31.672
tors. eta vs tors. theta energy: -59.982
Dist. restrs. and SS energy: 5.792 (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: 4
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -1290.019427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.019427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.299085 (E_RNA)
where:
Base-Base interactions energy: -896.143
where: short stacking energy: -364.570
Base-Backbone interact. energy: -2.597
local terms energy: -394.559182
where:
bonds (distance) C4'-P energy: -69.599
bonds (distance) P-C4' energy: -75.558
flat angles C4'-P-C4' energy: -78.924
flat angles P-C4'-P energy: -60.076
tors. eta vs tors. theta energy: -110.402
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: 9
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -1244.678823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.678823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.651690 (E_RNA)
where:
Base-Base interactions energy: -873.019
where: short stacking energy: -360.271
Base-Backbone interact. energy: -0.423
local terms energy: -374.209081
where:
bonds (distance) C4'-P energy: -76.529
bonds (distance) P-C4' energy: -71.782
flat angles C4'-P-C4' energy: -74.358
flat angles P-C4'-P energy: -48.541
tors. eta vs tors. theta energy: -103.000
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: 3, replica: 7
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -1232.362789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.362789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.916256 (E_RNA)
where:
Base-Base interactions energy: -844.020
where: short stacking energy: -343.878
Base-Backbone interact. energy: -1.923
local terms energy: -388.972699
where:
bonds (distance) C4'-P energy: -71.580
bonds (distance) P-C4' energy: -74.139
flat angles C4'-P-C4' energy: -79.191
flat angles P-C4'-P energy: -58.585
tors. eta vs tors. theta energy: -105.478
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: 2
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -1148.675713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.675713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.939574 (E_RNA)
where:
Base-Base interactions energy: -782.411
where: short stacking energy: -320.162
Base-Backbone interact. energy: -2.443
local terms energy: -366.085940
where:
bonds (distance) C4'-P energy: -66.084
bonds (distance) P-C4' energy: -68.405
flat angles C4'-P-C4' energy: -76.208
flat angles P-C4'-P energy: -58.730
tors. eta vs tors. theta energy: -96.658
Dist. restrs. and SS energy: 2.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -1035.848002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.848002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.138652 (E_RNA)
where:
Base-Base interactions energy: -725.794
where: short stacking energy: -308.355
Base-Backbone interact. energy: 0.076
local terms energy: -312.420514
where:
bonds (distance) C4'-P energy: -52.632
bonds (distance) P-C4' energy: -61.541
flat angles C4'-P-C4' energy: -72.950
flat angles P-C4'-P energy: -50.179
tors. eta vs tors. theta energy: -75.119
Dist. restrs. and SS energy: 2.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -1023.967352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.967352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.859774 (E_RNA)
where:
Base-Base interactions energy: -709.625
where: short stacking energy: -301.835
Base-Backbone interact. energy: -0.338
local terms energy: -317.896894
where:
bonds (distance) C4'-P energy: -54.063
bonds (distance) P-C4' energy: -66.132
flat angles C4'-P-C4' energy: -71.654
flat angles P-C4'-P energy: -53.529
tors. eta vs tors. theta energy: -72.519
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: 7, replica: 10
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -1004.607191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.607191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.744425 (E_RNA)
where:
Base-Base interactions energy: -694.378
where: short stacking energy: -289.806
Base-Backbone interact. energy: -1.915
local terms energy: -309.451959
where:
bonds (distance) C4'-P energy: -61.523
bonds (distance) P-C4' energy: -62.265
flat angles C4'-P-C4' energy: -56.807
flat angles P-C4'-P energy: -45.666
tors. eta vs tors. theta energy: -83.191
Dist. restrs. and SS energy: 1.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -915.501844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.501844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.553694 (E_RNA)
where:
Base-Base interactions energy: -643.810
where: short stacking energy: -255.506
Base-Backbone interact. energy: -1.364
local terms energy: -275.379913
where:
bonds (distance) C4'-P energy: -57.305
bonds (distance) P-C4' energy: -53.082
flat angles C4'-P-C4' energy: -67.642
flat angles P-C4'-P energy: -31.598
tors. eta vs tors. theta energy: -65.752
Dist. restrs. and SS energy: 5.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -909.379970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.379970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.659116 (E_RNA)
where:
Base-Base interactions energy: -652.484
where: short stacking energy: -256.737
Base-Backbone interact. energy: -0.552
local terms energy: -257.623318
where:
bonds (distance) C4'-P energy: -55.609
bonds (distance) P-C4' energy: -60.233
flat angles C4'-P-C4' energy: -52.674
flat angles P-C4'-P energy: -31.251
tors. eta vs tors. theta energy: -57.857
Dist. restrs. and SS energy: 1.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -896.928312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.928312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.887550 (E_RNA)
where:
Base-Base interactions energy: -634.287
where: short stacking energy: -251.876
Base-Backbone interact. energy: 1.585
local terms energy: -269.185261
where:
bonds (distance) C4'-P energy: -50.675
bonds (distance) P-C4' energy: -60.309
flat angles C4'-P-C4' energy: -57.937
flat angles P-C4'-P energy: -43.455
tors. eta vs tors. theta energy: -56.809
Dist. restrs. and SS energy: 4.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -1267.749666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.749666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.138539 (E_RNA)
where:
Base-Base interactions energy: -886.105
where: short stacking energy: -355.103
Base-Backbone interact. energy: -2.913
local terms energy: -382.120800
where:
bonds (distance) C4'-P energy: -70.200
bonds (distance) P-C4' energy: -74.618
flat angles C4'-P-C4' energy: -76.560
flat angles P-C4'-P energy: -51.004
tors. eta vs tors. theta energy: -109.739
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: 2, replica: 9
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -1203.792153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.792153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.286365 (E_RNA)
where:
Base-Base interactions energy: -847.738
where: short stacking energy: -339.596
Base-Backbone interact. energy: 2.382
local terms energy: -360.930040
where:
bonds (distance) C4'-P energy: -74.730
bonds (distance) P-C4' energy: -69.081
flat angles C4'-P-C4' energy: -68.766
flat angles P-C4'-P energy: -52.071
tors. eta vs tors. theta energy: -96.281
Dist. restrs. and SS energy: 2.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -1190.627100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.627100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.195692 (E_RNA)
where:
Base-Base interactions energy: -838.149
where: short stacking energy: -324.393
Base-Backbone interact. energy: -1.493
local terms energy: -353.553425
where:
bonds (distance) C4'-P energy: -71.697
bonds (distance) P-C4' energy: -64.379
flat angles C4'-P-C4' energy: -70.067
flat angles P-C4'-P energy: -57.264
tors. eta vs tors. theta energy: -90.146
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: 4, replica: 2
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -1128.296783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.296783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.117690 (E_RNA)
where:
Base-Base interactions energy: -784.145
where: short stacking energy: -317.499
Base-Backbone interact. energy: 2.596
local terms energy: -349.569072
where:
bonds (distance) C4'-P energy: -64.719
bonds (distance) P-C4' energy: -65.560
flat angles C4'-P-C4' energy: -72.356
flat angles P-C4'-P energy: -48.222
tors. eta vs tors. theta energy: -98.711
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: 5, replica: 8
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -1052.675421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.675421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.784492 (E_RNA)
where:
Base-Base interactions energy: -749.673
where: short stacking energy: -308.321
Base-Backbone interact. energy: -0.522
local terms energy: -305.590375
where:
bonds (distance) C4'-P energy: -65.877
bonds (distance) P-C4' energy: -56.272
flat angles C4'-P-C4' energy: -61.837
flat angles P-C4'-P energy: -39.998
tors. eta vs tors. theta energy: -81.607
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: 10
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -1017.739525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.739525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.128315 (E_RNA)
where:
Base-Base interactions energy: -697.550
where: short stacking energy: -280.268
Base-Backbone interact. energy: -3.431
local terms energy: -317.147344
where:
bonds (distance) C4'-P energy: -52.445
bonds (distance) P-C4' energy: -62.222
flat angles C4'-P-C4' energy: -73.225
flat angles P-C4'-P energy: -53.016
tors. eta vs tors. theta energy: -76.240
Dist. restrs. and SS energy: 0.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -979.517117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.517117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.343983 (E_RNA)
where:
Base-Base interactions energy: -682.079
where: short stacking energy: -273.100
Base-Backbone interact. energy: -0.205
local terms energy: -298.059701
where:
bonds (distance) C4'-P energy: -58.901
bonds (distance) P-C4' energy: -69.109
flat angles C4'-P-C4' energy: -61.262
flat angles P-C4'-P energy: -31.124
tors. eta vs tors. theta energy: -77.664
Dist. restrs. and SS energy: 0.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -919.006720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.006720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.586201 (E_RNA)
where:
Base-Base interactions energy: -633.096
where: short stacking energy: -248.553
Base-Backbone interact. energy: -1.551
local terms energy: -288.939628
where:
bonds (distance) C4'-P energy: -51.891
bonds (distance) P-C4' energy: -59.785
flat angles C4'-P-C4' energy: -67.196
flat angles P-C4'-P energy: -40.398
tors. eta vs tors. theta energy: -69.669
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: 1
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -887.789143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.789143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.626277 (E_RNA)
where:
Base-Base interactions energy: -626.704
where: short stacking energy: -230.234
Base-Backbone interact. energy: -0.799
local terms energy: -266.123675
where:
bonds (distance) C4'-P energy: -65.897
bonds (distance) P-C4' energy: -59.784
flat angles C4'-P-C4' energy: -57.529
flat angles P-C4'-P energy: -32.316
tors. eta vs tors. theta energy: -50.598
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: 10, replica: 5
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -881.009959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.009959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.987335 (E_RNA)
where:
Base-Base interactions energy: -610.547
where: short stacking energy: -249.418
Base-Backbone interact. energy: 2.799
local terms energy: -280.239050
where:
bonds (distance) C4'-P energy: -53.443
bonds (distance) P-C4' energy: -51.430
flat angles C4'-P-C4' energy: -72.825
flat angles P-C4'-P energy: -30.469
tors. eta vs tors. theta energy: -72.071
Dist. restrs. and SS energy: 6.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 4 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 56924819
moves confirmed later: 62391916
all moves confirmed: 119316735
percent of confirmed moves: 14.914592
current total energy: -1181.121257
recalc. total energy: -1181.121257
replica 9 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 50450893
moves confirmed later: 53736695
all moves confirmed: 104187588
percent of confirmed moves: 13.023449
current total energy: -1148.363561
recalc. total energy: -1148.363561
replica 7 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 63045803
moves confirmed later: 70329184
all moves confirmed: 133374987
percent of confirmed moves: 16.671873
current total energy: -1109.367043
recalc. total energy: -1109.367043
replica 2 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 60035892
moves confirmed later: 66300087
all moves confirmed: 126335979
percent of confirmed moves: 15.791997
current total energy: -1092.226141
recalc. total energy: -1092.226141
replica 10 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 62015183
moves confirmed later: 68907900
all moves confirmed: 130923083
percent of confirmed moves: 16.365385
current total energy: -990.888215
recalc. total energy: -990.888215
replica 8 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 57756204
moves confirmed later: 63214667
all moves confirmed: 120970871
percent of confirmed moves: 15.121359
current total energy: -966.902094
recalc. total energy: -966.902094
replica 6 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 60345084
moves confirmed later: 66507389
all moves confirmed: 126852473
percent of confirmed moves: 15.856559
current total energy: -885.961854
recalc. total energy: -885.961854
replica 3 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 68419945
moves confirmed later: 77276437
all moves confirmed: 145696382
percent of confirmed moves: 18.212048
current total energy: -782.460406
recalc. total energy: -782.460406
replica 5 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 68034870
moves confirmed later: 76710510
all moves confirmed: 144745380
percent of confirmed moves: 18.093173
current total energy: -818.997681
recalc. total energy: -818.997681
replica 1 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 68724255
moves confirmed later: 77706410
all moves confirmed: 146430665
percent of confirmed moves: 18.303833
current total energy: -775.780965
recalc. total energy: -775.780965
out arg RESULTS//1/8t5o-5c8a7763_01
Time of doing 8000000 iterations: 23317.787 seconds